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

Systemtic Name: 6-azanyl-2-[[2-[[6-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-[[6-amino-2-[(2-amino-3-phenyl-propanoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[2-[[6-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]-1-oxohexyl]amino]-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[2-[[6-amino-2-[(2-amino-3-phenylpropanoyl)amino]hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-[[6-amino-2-(phenylalanylamino)hexanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoic acid Formula: C30H44N6O6 MolecularWeight: 584.70696

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N6O6/c31-16-6-4-10-24(34-27(38)23(33)18-20-8-2-1-3-9-20)28(39)36-26(19-21-12-14-22(37)15-13-21)29(40)35-25(30(41)42)11-5-7-17-32/h1-3,8-9,12-15,23-26,37H,4-7,10-11,16-19,31-33H2,(H,34,38)(H,35,40)(H,36,39)(H,41,42)