Name: ANP 1-28, HUMAN
SKU: 89213-87-6

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Basic Information

Molecular Structure:
CAS No.:	89213-87-6
Name:	ANP 1-28, HUMAN

Formula:	C₁₂₇H₂₀₃N₄₅O₃₉S₃
Molecular Weight:	3080.48
Synonyms:	Atriopeptin-33(rat), 1-de-L-leucine-2-de-L-alanine-3-deglycine-4-de-L-proline-5-de-L-arginine-17-L-methionine-;1,2-Dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane,cyclic peptide deriv.;(1-28)-Human atrial natriuretic peptide;13: PN:US20060171920 SEQID: 13 claimed protein;2: PN: US6028055 SEQID: 51 claimedprotein;4: PN: US20090011997 SEQID: 2 claimed protein;56: PN: US20090011997SEQID: 59 claimed protein;82: PN: US20080153747 SEQID: 82 claimed protein;Atriopeptin (human a-component);Carperitide;Horse atrial natriuretic peptide-28;Humanatrial natriuretic factor (99-126);Human atrial natriuretic peptide (1-28);Human atrial natriuretic peptide (99-126);Human atriopeptin(1-28);Humanatriopeptin(99-126);Human atriopeptin-28;Human a-atrial natriuretic factor;Human a-atrial natriuretic factor(1-28);Human a-atrial natriuretic peptide;Human a-atriopeptin;L-Tyrosine,L-seryl-L-leucyl-L-arginyl-L-arginyl-L-seryl-L-seryl-L-cysteinyl-L-phenylalanylglycylglycyl-L-arginyl-L-methionyl-L-a-aspartyl-L-arginyl-L-isoleucylglycyl-L-alanyl-L-glutaminyl-L-serylglycyl-L-leucylglycyl-L-cysteinyl-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-,cyclic (7?;SUN 4936;[99-126]-Human proatriopeptin;a-Atriopeptin (human);a-Human atrial natriuretic hormone;a-Human atrial natriuretic peptide (1-28);a-Human atrial natriureticpolypeptide;a-Humanatriopeptin(1-28);
EINECS:	686-482-9
Density:	1.55 g/cm³
PSA:	1479.28000
LogP:	-2.10540

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Specification

The systematic name of Human atrial natriuretic peptide (99-126) is (3S,6S,9S,12S,15S)-1-{(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-{[(2S,5S,8S,11S,14S,17S)-17-amino-8,11-bis(3-carbamimidamidopropyl)-18-hydroxy-2,5-bis(hydroxymethyl)-14-(2-methylpropyl)-4,7, 10,13,16-pentaoxo-3,6,9,12,15-pentaazaoctadecan-1-oyl]amino}-19-(3-amino-3-oxopropyl)-49-benzyl-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-28-[(1S)-1-methylprop yl]-10-(2-methylpropyl)-37-[2-(methylsulfanyl)ethyl]-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontan-4 -yl}-3-(2-amino-2-oxoethyl)-9-benzyl-12-(3-carbamimidamidopropyl)-15-(4-hydroxybenzyl)-6-(hydroxymethyl)-1,4,7,10,13-pentaoxo-2,5,8,11,14-pentaazahexadecan-16-oic acid (non-preferred name). With the CAS registry number 89213-87-6, it is also named as Carperitide. The classification codes are Reproductive Effect; Treatment of decompensated congestive heart failure. When Human atrial natriuretic peptide (99-126) is heated to decomposition, it emits toxic vapors of NO_x and SO_x.

The other characteristics of Human atrial natriuretic peptide (99-126) can be summarized as: (1)# of Rule of 5 Violations: 3; (2)#H bond acceptors: 84; (3)#H bond donors: 61; (4)#Freely Rotating Bonds: 77; (5)Polar Surface Area: 1479.28 Å²; (6)Index of Refraction: 1.688; (7)Molar Refractivity: 755.51 cm³; (8)Molar Volume: 1979.5 cm³; (9)Polarizability: 299.5×10^-24 cm³; (10)Surface Tension: 72.3 dyne/cm; (11)Rotatable Bond Count: 75; (12)Tautomer Count: 1001; (13)Exact Mass: 3079.448049; (14)MonoIsotopic Mass: 3078.444694; (15)Topological Polar Surface Area: 1480; (16)Heavy Atom Count: 214; (17)Formal Charge: 0; (18)Complexity: 6940; (19)Isotope Atom Count: 0; (20)Defined Atom StereoCenter Count: 24; (21)Covalently-Bonded Unit Count: 1.

People can use the following data to convert to the molecule structure.
1. Smiles:C([C@@H]1CSSC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(NCC(N[C@H](C(N[C@H](C(=O)N[C@H](C(N[C@@H](CCCNC(N)=N)C(=O)N[C@H](C(=O)NCC(N[C@H](C(N[C@@H](CCC(N)=O)C(N[C@H](C(NCC(=O)N[C@H](C(NCC(=O)N1)=O)CC(C)C)=O)CO)=O)=O)C)=O)[C@H](CC)C)=O)CC(O)=O)CCSC)=O)CCCNC(N)=N)=O)=O)NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](CO)N)=O)CC(C)C)=O)CCCNC(N)=N)=O)CCCNC(N)=N)=O)CO)=O)CO)=O)(=O)N[C@H](C(=O)N[C@H](C(N[C@@H](Cc1ccccc1)C(N[C@H](C(N[C@@H](Cc1ccc(O)cc1)C(O)=O)=O)CCCNC(N)=N)=O)=O)CO)CC(N)=O
2. InChI:InChI=1/C127H203N45O39S3/c1-9-64(6)99-121(209)150-52-94(182)151-65(7)100(188)155-76(34-35-91(129)179)109(197)167-85(56-174)104(192)149-53-96(184)153-78(43-62(2)3)102(190)148-54-97(185)154-89(119(207)164-82(48-92(130)180)114(202)169-86(57-175)116(204)163-81(46-67-23-14-11-15-24-67)113(201)158-73(27-18-39-143-125(135)136)107(195)166-84(122(210)211)47-68-30-32-69(178)33-31-68)60-213-214-61-90(171-118(206)88(59-177)170-117(205)87(58-176)168-108(196)74(28-19-40-144-126(137)138)156-106(194)72(26-17-38-142-124(133)134)157-112(200)79(44-63(4)5)161-101(189)70(128)55-173)120(208)162-80(45-66-21-12-10-13-22-66)103(191)147-50-93(181)146-51-95(183)152-71(25-16-37-141-123(131)132)105(193)160-77(36-42-212-8)110(198)165-83(49-98(186)187)115(203)159-75(111(199)172-99)29-20-41-145-127(139)140/h10-15,21-24,30-33,62-65,70-90,99,173-178H,9,16-20,25-29,34-61,128H2,1-8H3,(H2,129,179)(H2,130,180)(H,146,181)(H,147,191)(H,148,190)(H,149,192)(H,150,209)(H,151,182)(H,152,183)(H,153,184)(H,154,185)(H,155,188)(H,156,194)(H,157,200)(H,158,201)(H,159,203)(H,160,193)(H,161,189)(H,162,208)(H,163,204)(H,164,207)(H,165,198)(H,166,195)(H,167,197)(H,168,196)(H,169,202)(H,170,205)(H,171,206)(H,172,199)(H,186,187)(H,210,211)(H4,131,132,141)(H4,133,134,142)(H4,135,136,143)(H4,137,138,144)(H4,139,140,145)/t64-,65-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-/m0/s1

The following are the toxicity data which has been tested.

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Source
dog	LD50	intravenous	> 100mg/kg (100mg/kg)	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 1383, 1995.
mouse	LD50	intravenous	> 100mg/kg (100mg/kg)	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 1383, 1995.
rat	LD50	intravenous	21mg/kg (21mg/kg)	Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 37, Pg. 1383, 1995.

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Specification