2-[8-(4-azanylbutylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-(4-azanylbutylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-(4-aminobutylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[(4-aminobutylamino)-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-(4-aminobutylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-(4-aminobutylcarbamoyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C24H30N4O4 MolecularWeight: 438.5194

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCCCCN)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCCCCN)NC(C(=O)N1CCC3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C24H30N4O4/c25-11-4-5-12-26-23(31)18-8-9-19-16-28(13-10-17-6-2-1-3-7-17)24(32)21(15-22(29)30)27-20(19)14-18/h1-3,6-9,14,21,27H,4-5,10-13,15-16,25H2,(H,26,31)(H,29,30)