N-Methylglycyl-N⁵-(diaminomethylene)-L-ornithyl-L-valyl-O-methyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine
[CAS# 88874-29-7]

Identification

• Name: N-Methylglycyl-N⁵-(diaminomethylene)-L-ornithyl-L-valyl-O-methyl-L-tyrosyl-L-isoleucyl-L-histidyl-L-prolyl-L-phenylalanine
• Synonyms: 1-Sar-4-Me-tyr-angiotensin II; Angiotensin II, 1-(N-methylglycine)-4-(O-methyl-L-tyrosine)-5-L-isoleucine-; Angiotensin II, 1-(N-methylglycine)-4-(O-methyl-L-tyrosine)-5-L-isoleucine-, (3β)-
• Molecular Formula: C₅₀H₇₃N₁₃O₁₀
• Molecular Weight: 1016.20
• CAS Registry Number: 88874-29-7
• SMILES: O=C(O)[C@@H](NC(=O)[C@H]3N(C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC)CCC/N=C(\N)N)C(C)C)Cc1ccc(OC)cc1)[C@@H](C)CC)Cc2cncn2)CCC3)Cc4ccccc4
• InChI: 1S/C50H73N13O10/c1-7-30(4)42(47(69)59-37(25-33-26-54-28-56-33)48(70)63-22-12-16-39(63)45(67)60-38(49(71)72)24-31-13-9-8-10-14-31)62-44(66)36(23-32-17-19-34(73-6)20-18-32)58-46(68)41(29(2)3)61-43(65)35(57-40(64)27-53-5)15-11-21-55-50(51)52/h8-10,13-14,17-20,26,28-30,35-39,41-42,53H,7,11-12,15-16,21-25,27H2,1-6H3,(H,54,56)(H,57,64)(H,58,68)(H,59,69)(H,60,67)(H,61,65)(H,62,66)(H,71,72)(H4,51,52,55)/t30-,35-,36-,37-,38-,39-,41-,42-/m0/s1
• InChIKey: WJXAVNPIJIPGMN-PNGYUKAISA-N

Properties

• Density: 1.359g/cm³ (Cal.)