CAS 116331-58-9 | Angiotensin II, 1-de-L-aspartic acid-2-(N-methylglycine)-5-L-isoleucine-8-L-isoleucine- (9CI) | CAS Number 116331-58-9

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116331-58-9 | Angiotensin II, 1-de-L-aspartic acid-2-(N-methylglycine)-5-L-isoleucine-8-L-isoleucine- (9CI)

CAS No: 116331-58-9 Catalog No: AG000C8F MDL No:

Product Description

Catalog Number:

AG000C8F

Chemical Name:

Angiotensin II, 1-de-L-aspartic acid-2-(N-methylglycine)-5-L-isoleucine-8-L-isoleucine- (9CI)

CAS Number:

116331-58-9

Molecular Formula:

C40H61N9O9

Molecular Weight:

811.9672

IUPAC Name:

(2S,3S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-3-(4-hydroxyphenyl)-2-[[(2S)-3-methyl-2-[[2-(methylamino)acetyl]amino]butanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoic acid

InChI:

InChI=1S/C40H61N9O9/c1-8-23(5)33(47-35(52)28(17-25-12-14-27(50)15-13-25)44-37(54)32(22(3)4)46-31(51)20-41-7)38(55)45-29(18-26-19-42-21-43-26)39(56)49-16-10-11-30(49)36(53)48-34(40(57)58)24(6)9-2/h12-15,19,21-24,28-30,32-34,41,50H,8-11,16-18,20H2,1-7H3,(H,42,43)(H,44,54)(H,45,55)(H,46,51)(H,47,52)(H,48,53)(H,57,58)/t23-,24-,28-,29-,30-,32-,33-,34-/m0/s1

InChI Key:

CWYSINAKYPWESJ-KCPCHNEOSA-N

SMILES:

CNCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](CC)C)C(=O)O)Cc1c[nH]cn1)[C@H](CC)C)Cc1ccc(cc1)O)C(C)C