2-[2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(3-benzamido-2-oxidanylidene-4-phenyl-butyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(3-benzamido-2-oxo-4-phenyl-butyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(3-benzamido-2-oxo-4-phenylbutyl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(3-benzamido-2-oxo-4-phenylbutyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(3-benzamido-2-keto-4-phenyl-butyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C30H31N3O5 MolecularWeight: 513.58424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NCC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)O)NCC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C30H31N3O5/c1-20(29(36)33-19-24-15-9-8-14-23(24)17-26(33)30(37)38)31-18-27(34)25(16-21-10-4-2-5-11-21)32-28(35)22-12-6-3-7-13-22/h2-15,20,25-26,31H,16-19H2,1H3,(H,32,35)(H,37,38)