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

Systemtic Name: 3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid Openeye Name: 3-[7-(5-aminopentyl)-1-isopropyl-2,5-dioxo-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propanoic acid CAS Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-propan-2-yl-3H-1,4-benzodiazepin-4-yl]-3-phenylpropanoic acid Traditional Name: 3-[7-(5-aminopentyl)-1-isopropyl-2,5-diketo-3H-1,4-benzodiazepin-4-yl]-3-phenyl-propionic acid Formula: C26H33N3O4 MolecularWeight: 451.55792

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)CN(C(=O)C2=C1C=CC(=C2)CCCCCN)C(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)CN(C(=O)C2=C1C=CC(=C2)CCCCCN)C(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C26H33N3O4/c1-18(2)29-22-13-12-19(9-5-4-8-14-27)15-21(22)26(33)28(17-24(29)30)23(16-25(31)32)20-10-6-3-7-11-20/h3,6-7,10-13,15,18,23H,4-5,8-9,14,16-17,27H2,1-2H3,(H,31,32)