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

Systemtic Name: 2-[8-(5-azanylpentylcarbamoyl)-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-(5-aminopentylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[(5-aminopentylamino)-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-(5-aminopentylcarbamoyl)-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-(5-aminopentylcarbamoyl)-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N4O4/c26-12-5-2-6-13-27-24(32)19-9-10-20-17-29(14-11-18-7-3-1-4-8-18)25(33)22(16-23(30)31)28-21(20)15-19/h1,3-4,7-10,15,22,28H,2,5-6,11-14,16-17,26H2,(H,27,32)(H,30,31)