2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-[[2-[[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]amino]-3-oxidanyl-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[[2-[[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[2-[[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]amino]-3-hydroxy-1-oxobutyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[[2-[[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[[2-[[6-amino-2-(phenylalanylamino)hexanoyl]amino]-3-hydroxy-butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxy-propionic acid Formula: C31H44N6O9 MolecularWeight: 644.71586

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N6O9/c1-18(39)26(30(44)35-24(16-20-10-12-21(40)13-11-20)29(43)36-25(17-38)31(45)46)37-28(42)23(9-5-6-14-32)34-27(41)22(33)15-19-7-3-2-4-8-19/h2-4,7-8,10-13,18,22-26,38-40H,5-6,9,14-17,32-33H2,1H3,(H,34,41)(H,35,44)(H,36,43)(H,37,42)(H,45,46)