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| CAS No.: | 124584-08-3 |
|---|---|
| Name: | BNP-32 (Human) |
| Molecular Structure: | |
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| Formula: | C143H244N50O42S4 |
| Molecular Weight: | 3464.04 |
| Synonyms: | Human brain natriuretic factor-32;Human brain natriuretic peptide-32; |
| EINECS: | 1312995-182-4 |
| Density: | 1.529 g/cm3 |
| Solubility: | Soluble in water at 1mg/ml |
| Appearance: | powder |
| PSA: | 1613.94000 |
| LogP: | -1.27910 |
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Specification
The BNP-32 (Human), with the CAS registry number of 124584-08-3, is also known as Brain natriureticpeptide-32 (human) (9CI). This chemical's molecular formula is C143H244N50O42S4 and molecular weight is 3464.04. What's more, its systematic name is called (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-Amino-2-[[(4R, 10S, 16S, 19S, 22S, 25S, 28S, 31S, 34S, 37S, 40S, 43S, 49S, 52R)-52-[[2-[[(2S)-2-[[2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-3-hydroxy-propanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]amino]-4-methylsulfanyl-butanoyl]amino]-3-methyl-butanoyl]amino]-5-oxo-pentanoyl]amino]acetyl]amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-40-(4-aminobutyl)-49-benzyl-34-(carboxymethyl)-31, 43-bis(3-guanidinopropyl)-16, 19, 22, 25-tetrakis(hydroxymethyl)-10-isobutyl-28-[(1S)-1-methylpropyl]-37-(2-methylsulfanylethyl)-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-hexadecazacyclotripentacontane-4-carbonyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-5-guanidino-pentanoyl]amino]-3-(1H-imidazol-4-yl)propanoic acid. This chemical's classification codes are Renin-angiotensin System Antagonist; Treatment of Congestive Heart Failure; Treatment of Congestive Heart Failure [renin-angiotensin system antagonist]. Besides, BNP-32 (Human) should be stored at -20 °C.
Physical properties about BNP-32 (Human) are: (1)# of Rule of 5 Violations: 3; (2)#H bond acceptors: 92; (3)#H bond donors: 65; (4)#Freely Rotating Bonds: 97; (5)Polar Surface Area: 1613.94 Å2; (6)Index of Refraction: 1.679; (7)Molar Refractivity: 855.062 cm3; (8)Molar Volume: 2265.808 cm3; (9)Surface Tension: 69.458 dyne/cm; (10)Density: 1.529 g/cm3.
You can still convert the following datas into molecular structure:
(1) SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)CCSC)CCCCN)CCCNC(=N)N)Cc2ccccc2)NC(=O)CNC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CO)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc4c[nH]cn4)C(=O)O)CC(C)C)CO)CO)CO)CO
(2) InChI: InChI=1/C143H244N50O42S4/c1-13-76(10)112-137(232)189-99(68-199)131(226)188-98(67-198)130(225)187-97(66-197)129(224)186-96(65-196)117(212)166-59-105(202)169-90(52-72(2)3)114(209)163-61-107(204)171-100(132(227)177-83(32-19-22-44-146)124(219)190-111(75(8)9)136(231)184-91(53-73(4)5)127(222)175-84(34-24-46-159-141(151)152)121(216)174-85(35-25-47-160-142(153)154)122(217)185-94(139(234)235)55-78-57-157-71-167-78)69-238-239-70-101(172-108(205)62-165-116(211)95(64-195)170-106(203)60-162-113(208)87(38-39-103(148)200)181-135(230)110(74(6)7)191-126(221)89(41-51-237-12)179-120(215)82(31-18-21-43-145)180-134(229)102-37-27-49-193(102)138(233)79(147)63-194)133(228)182-92(54-77-28-15-14-16-29-77)115(210)164-58-104(201)168-80(33-23-45-158-140(149)150)118(213)173-81(30-17-20-42-144)119(214)178-88(40-50-236-11)123(218)183-93(56-109(206)207)128(223)176-86(125(220)192-112)36-26-48-161-143(155)156/h14-16,28-29,57,71-76,79-102,110-112,194-199H,13,17-27,30-56,58-70,144-147H2,1-12H3,(H2,148,200)(H,157,167)(H,162,208)(H,163,209)(H,164,210)(H,165,211)(H,166,212)(H,168,201)(H,169,202)(H,170,203)(H,171,204)(H,172,205)(H,173,213)(H,174,216)(H,175,222)(H,176,223)(H,177,227)(H,178,214)(H,179,215)(H,180,229)(H,181,230)(H,182,228)(H,183,218)(H,184,231)(H,185,217)(H,186,224)(H,187,225)(H,188,226)(H,189,232)(H,190,219)(H,191,221)(H,192,220)(H,206,207)(H,234,235)(H4,149,150,158)(H4,151,152,159)(H4,153,154,160)(H4,155,156,161)/t76-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,110-,111-,112-/m0/s1
(3) InChIKey: HPNRHPKXQZSDFX-OAQDCNSJBE