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

Systemtic Name: 3-[7-(5-azanylpentyl)-2,5-bis(oxidanylidene)-1-phenyl-3H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[7-(5-aminopentyl)-2,5-dioxo-1-phenyl-3H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[7-(5-aminopentyl)-2,5-diketo-1-phenyl-3H-1,4-benzodiazepin-4-yl]propionic acid Formula: C23H27N3O4 MolecularWeight: 409.47818

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1CCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1C(=O)N(C2=C(C=C(C=C2)CCCCCN)C(=O)N1CCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H27N3O4/c24-13-6-2-3-7-17-10-11-20-19(15-17)23(30)25(14-12-22(28)29)16-21(27)26(20)18-8-4-1-5-9-18/h1,4-5,8-11,15H,2-3,6-7,12-14,16,24H2,(H,28,29)