2-[7-[(3-carbamimidoylphenyl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[7-[(3-carbamimidoylphenyl)carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[(3-carbamimidoylphenyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[(3-carbamimidoylanilino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[(3-carbamimidoylphenyl)carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[(3-amidinophenyl)carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=N)N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)NC3=CC=CC(=C3)C(=N)N)NC(C1=O)CC(=O)O

InChI

InChI=1S/C20H21N5O4/c1-25-10-13-7-12(5-6-15(13)24-16(20(25)29)9-17(26)27)19(28)23-14-4-2-3-11(8-14)18(21)22/h2-8,16,24H,9-10H2,1H3,(H3,21,22)(H,23,28)(H,26,27)