2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[(1-ethanoylpyrrolidin-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]pentanediamide

Systemtic Name: 2-[[2-[[2-[[5-[bis(azanyl)methylideneamino]-2-[[2-[(1-ethanoylpyrrolidin-2-yl)carbonylamino]-3-phenyl-propanoyl]amino]pentanoyl]amino]-3-oxidanyl-propanoyl]amino]-3-methyl-butanoyl]amino]pentanediamide Openeye Name: 2-[[2-[[2-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]pentanediamide CAS Name: 2-[[2-[[2-[[2-[[2-[[(1-acetyl-2-pyrrolidinyl)-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-5-(diaminomethylideneamino)-1-oxopentyl]amino]-3-hydroxy-1-oxopropyl]amino]-3-methyl-1-oxobutyl]amino]pentanediamide IUPAC Name: 2-[[2-[[2-[[2-[[2-[(1-acetylpyrrolidine-2-carbonyl)amino]-3-phenylpropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]pentanediamide Traditional Name: 2-[[2-[[2-[[2-[[2-[(1-acetylprolyl)amino]-3-phenyl-propanoyl]amino]-5-guanidino-pentanoyl]amino]-3-hydroxy-propanoyl]amino]-3-methyl-butanoyl]amino]glutaramide Formula: C35H55N11O9 MolecularWeight: 773.8795

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC(CCC(=O)N)C(=O)N)NC(=O)C(CO)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN2C(=O)C

InChI

InChI=1S/C35H55N11O9/c1-19(2)28(34(55)41-22(29(37)50)13-14-27(36)49)45-32(53)25(18-47)44-30(51)23(11-7-15-40-35(38)39)42-31(52)24(17-21-9-5-4-6-10-21)43-33(54)26-12-8-16-46(26)20(3)48/h4-6,9-10,19,22-26,28,47H,7-8,11-18H2,1-3H3,(H2,36,49)(H2,37,50)(H,41,55)(H,42,52)(H,43,54)(H,44,51)(H,45,53)(H4,38,39,40)