2-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[(4-carbamimidoylphenyl)-methyl-carbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[(4-carbamimidoyl-N-methylanilino)-oxomethyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[8-[(4-carbamimidoylphenyl)-methylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[8-[(4-amidinophenyl)-methyl-carbamoyl]-3-keto-4-methyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C21H23N5O4 MolecularWeight: 409.43842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N5O4/c1-25-11-14-4-3-13(9-16(14)24-17(21(25)30)10-18(27)28)20(29)26(2)15-7-5-12(6-8-15)19(22)23/h3-9,17,24H,10-11H2,1-2H3,(H3,22,23)(H,27,28)