3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid

Systemtic Name: 3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid Openeye Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid CAS Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid Traditional Name: 3-[7-(5-aminopentyl)-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid Formula: C29H31N3O4 MolecularWeight: 485.57414

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1C(CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1C(CC(=O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H31N3O4/c30-17-9-3-4-10-21-15-16-25-24(18-21)29(36)31(20-27(33)32(25)23-13-7-2-8-14-23)26(19-28(34)35)22-11-5-1-6-12-22/h1-2,5-8,11-16,18,26H,3-4,9-10,17,19-20,30H2,(H,34,35)