CAS No.51833-78-4,ASP-ARG-VAL-TYR-ILE-HIS-PRO Suppliers

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Basic Information

Molecular Structure:
CAS No.:	51833-78-4
Name:	ASP-ARG-VAL-TYR-ILE-HIS-PRO
Article Data:	3

Formula:	C₄₁H₆₂N₁₂O₁₁
Molecular Weight:	899.017
Synonyms:	AngiotensinII, 5-L-isoleucine-8-de-L-phenylalanine-;1-7-[Ile5]-angiotensin;115: PN:WO2006032674 SEQID: 115 claimed sequence;11: PN: WO0212471 SEQID: 18 unclaimedsequence;18: PN: US6610497 SEQID: 18 unclaimed sequence;18: PN: US6884771SEQID: 18 unclaimed sequence;18: PN: US6989363 SEQID: 18 unclaimed sequence;39: PN: US20090227507 SEQID: 1 unclaimed protein;3: PN: WO0144270 SEQID: 4claimed protein;3: PN: WO2008089532 PAGE: 19 unclaimed sequence;453: PN:WO0069900 SEQID: 639 unclaimed sequence;4: PN: WO0056345 SEQID: 4 claimedsequence;4: PN: WO0143761 SEQID: 4 claimed protein;4: PN: WO0155176 SEQID: 4claimed protein;4: PN: WO0198325 SEQID: 4 claimed protein;4: PN: WO02087504SEQID: 4 claimed protein;4: PN: WO03039434 PAGE: 7 unclaimed sequence;529:PN: US20090175821 SEQID: 639 claimed protein;5: PN: US20030130196 SEQID: 4claimed protein;6: PN: WO0018899 PAGE: 18 unclaimed sequence;8: PN:WO03072059 SEQID: 1 claimed protein;Human angiotensin II (1-7);[Ile5]angiotensin I (1-7);Angiotensin, Canine, Rat;
Density:	1.47 g/cm³
Solubility:	Soluble in water
Appearance:	White lyophilised solid
PSA:	377.24000
LogP:	1.95110

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Specification

The Aspartyl-argininyl-valinyl-tyrosinyl-isoleucinyl-histidinyl-proline with its cas register number is 51833-78-4. It also can be called as Angiotensin I/II (1-7); Asp-Arg-Val-Tyr-Ile-His-Pro and the IUPAC Name about this chemical is 1-[2-[[2-[[2-[[2-[[2-[(2-amino-4-hydroxy-4-oxobutanoyl)amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carboxylic acid.

Physical properties about Aspartyl-argininyl-valinyl-tyrosinyl-isoleucinyl-histidinyl-proline are: (1)ACD/LogP: 0.74; (2)# of Rule of 5 Violations: 3; (3)ACD/LogD (pH 5.5): -2.82; (4)ACD/LogD (pH 7.4): -1.96; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 23; (10)#H bond donors: 15; (11)#Freely Rotating Bonds: 27; (12)Polar Surface Area: 223.59Å²; (13)Index of Refraction: 1.665; (14)Molar Refractivity: 226.63 cm³; (15)Molar Volume: 609.6 cm³; (16)Polarizability: 89.84x10^-24cm³; (17)Surface Tension: 63.1 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@H](N)C(=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[C@H](C(=O)O)CCC1)Cc2cncn2)[C@@H](C)CC)Cc3ccc(O)cc3)C(C)C)CCC/N=C(\N)N
(2)InChI: InChI=1/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1
(3)InChIKey: PVHLMTREZMEJCG-GDTLVBQBBS
(4)Std. InChI: InChI=1S/C41H62N12O11/c1-5-22(4)33(38(61)50-29(17-24-19-45-20-47-24)39(62)53-15-7-9-30(53)40(63)64)52-36(59)28(16-23-10-12-25(54)13-11-23)49-37(60)32(21(2)3)51-35(58)27(8-6-14-46-41(43)44)48-34(57)26(42)18-31(55)56/h10-13,19-22,26-30,32-33,54H,5-9,14-18,42H2,1-4H3,(H,45,47)(H,48,57)(H,49,60)(H,50,61)(H,51,58)(H,52,59)(H,55,56)(H,63,64)(H4,43,44,46)/t22-,26-,27-,28-,29-,30-,32-,33-/m0/s1
(5)Std. InChIKey: PVHLMTREZMEJCG-GDTLVBQBSA-N