2-[[2-[[2-[[6-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[2-[[6-azanyl-2-[[2-[(2-azanyl-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-3-phenyl-propanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-1-oxo-3-phenylpropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]amino]-3-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[[6-amino-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[[6-amino-2-[[3-(4-hydroxyphenyl)-2-(phenylalanylamino)propanoyl]amino]hexanoyl]amino]-3-methyl-butanoyl]amino]-3-methyl-pentanoyl]amino]glutaric acid Formula: C40H59N7O10 MolecularWeight: 797.93736

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)N

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)N

InChI

InChI=1S/C40H59N7O10/c1-5-24(4)34(39(55)44-30(40(56)57)18-19-32(49)50)47-38(54)33(23(2)3)46-36(52)29(13-9-10-20-41)43-37(53)31(22-26-14-16-27(48)17-15-26)45-35(51)28(42)21-25-11-7-6-8-12-25/h6-8,11-12,14-17,23-24,28-31,33-34,48H,5,9-10,13,18-22,41-42H2,1-4H3,(H,43,53)(H,44,55)(H,45,51)(H,46,52)(H,47,54)(H,49,50)(H,56,57)