Angiotensin II, N-(1-octanoyl)-ile(5)-leu(8)-

acetic acid;(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-3-carboxy-2-(octanoylamino)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Also Known As: Sid 769106|N-(1-Octanoyl)-5-ile-8-leu-angiotensin II|Angiotensin II, N-(1-octanoyl)-ile(5)-leu(8)-|Angiotensin II, N-(1-octanoyl)-isoleucine(5)-leucine(8)-|Angiotensin II, N-(1-oxooctyl)-5-L-isoleucine-8-L-leucine-, diacetate (salt)|n-octanoyl-l-|A-aspartyl-n5-(diaminomethylidene)-l-ornithyl-l-valyl-l-tyrosyl-l-isoleucyl-l-histidyl-l-prolyl-l-leucine acetate(1:2)|acetic acid; (2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-4-hydroxy-2-(octanoylamino)-4-oxobutanoyl]amino]pentanoyl]amino]-3-methylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoic acid

Molecular Formula	C59H95N13O17
Molecular Weight	1257.6969 g/mol
LogP	1.1885
Topological Polar Surface Area	487.0 Ų
Hydrogen Bond Donors	15
Hydrogen Bond Acceptors	19
Rotatable Bonds	36
Exact Mass	1257.6969
Monoisotopic Mass	1257.6969
Heavy Atoms	89
Complexity	2150.0

Chemical Identifiers

CAS Number	596-29-2
SMILES	CCCCCCCC(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)O.CC(=O)O.CC(=O)O
InChIKey	CZKJWSOOUBGNCR-SOJNYWFLSA-N