(2S)-2-[(3-aminophenyl)methylamino]-5-oxidanylidene-5-[(4-phenylphenyl)carbonylamino]pentanoic acid

Systemtic Name: (2S)-2-[(3-aminophenyl)methylamino]-5-oxidanylidene-5-[(4-phenylphenyl)carbonylamino]pentanoic acid Openeye Name: (2S)-2-[(3-aminophenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid CAS Name: (2S)-2-[(3-aminophenyl)methylamino]-5-oxo-5-[[oxo-(4-phenylphenyl)methyl]amino]pentanoic acid IUPAC Name: (2S)-2-[(3-aminophenyl)methylamino]-5-oxo-5-[(4-phenylbenzoyl)amino]pentanoic acid Traditional Name: (2S)-2-[(3-aminobenzyl)amino]-5-keto-5-[(4-phenylbenzoyl)amino]valeric acid Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=O)CCC(C(=O)O)NCC3=CC(=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)NC(=O)CC[C@@H](C(=O)O)NCC3=CC(=CC=C3)N

InChI

InChI=1S/C25H25N3O4/c26-21-8-4-5-17(15-21)16-27-22(25(31)32)13-14-23(29)28-24(30)20-11-9-19(10-12-20)18-6-2-1-3-7-18/h1-12,15,22,27H,13-14,16,26H2,(H,31,32)(H,28,29,30)/t22-/m0/s1