2-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-phenyl]carbonylamino]butanedioic acid

Systemtic Name: 2-[[4-[(2-acetamido-6-azanyl-hexanoyl)amino]-2-phenyl-phenyl]carbonylamino]butanedioic acid Openeye Name: 2-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]butanedioic acid CAS Name: 2-[[[4-[(2-acetamido-6-amino-1-oxohexyl)amino]-2-phenylphenyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[4-[(2-acetamido-6-aminohexanoyl)amino]-2-phenylbenzoyl]amino]butanedioic acid Traditional Name: 2-[[4-[(2-acetamido-6-amino-hexanoyl)amino]-2-phenyl-benzoyl]amino]succinic acid Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CCCCN)C(=O)NC1=CC(=C(C=C1)C(=O)NC(CC(=O)O)C(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C25H30N4O7/c1-15(30)27-20(9-5-6-12-26)24(34)28-17-10-11-18(19(13-17)16-7-3-2-4-8-16)23(33)29-21(25(35)36)14-22(31)32/h2-4,7-8,10-11,13,20-21H,5-6,9,12,14,26H2,1H3,(H,27,30)(H,28,34)(H,29,33)(H,31,32)(H,35,36)