2-[2-oxidanylidene-5-(3-phenylpropanoyl)-4-(3-phenylpropanoylamino)-3,4-dihydro-1,5-benzodiazepin-1-yl]ethanoic acid

Systemtic Name: 2-[2-oxidanylidene-5-(3-phenylpropanoyl)-4-(3-phenylpropanoylamino)-3,4-dihydro-1,5-benzodiazepin-1-yl]ethanoic acid Openeye Name: 2-[2-oxo-5-(3-phenylpropanoyl)-4-(3-phenylpropanoylamino)-3,4-dihydro-1,5-benzodiazepin-1-yl]acetic acid CAS Name: 2-[2-oxo-5-(1-oxo-3-phenylpropyl)-4-[(1-oxo-3-phenylpropyl)amino]-3,4-dihydro-1,5-benzodiazepin-1-yl]acetic acid IUPAC Name: 2-[2-oxo-5-(3-phenylpropanoyl)-4-(3-phenylpropanoylamino)-3,4-dihydro-1,5-benzodiazepin-1-yl]acetic acid Traditional Name: 2-[5-hydrocinnamoyl-4-(hydrocinnamoylamino)-2-keto-3,4-dihydro-1,5-benzodiazepin-1-yl]acetic acid Formula: C29H29N3O5 MolecularWeight: 499.55766

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2N(C1=O)CC(=O)O)C(=O)CCC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

Isomeric SMILES

C1C(N(C2=CC=CC=C2N(C1=O)CC(=O)O)C(=O)CCC3=CC=CC=C3)NC(=O)CCC4=CC=CC=C4

InChI

InChI=1S/C29H29N3O5/c33-26(17-15-21-9-3-1-4-10-21)30-25-19-28(35)31(20-29(36)37)23-13-7-8-14-24(23)32(25)27(34)18-16-22-11-5-2-6-12-22/h1-14,25H,15-20H2,(H,30,33)(H,36,37)