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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CCC(=O)O

Isomeric SMILES

C1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CCC(=O)O

InChI

InChI=1S/C20H21N5O4/c21-19(22)12-1-4-15(5-2-12)24-20(29)13-3-6-16-14(9-13)11-25(8-7-18(27)28)17(26)10-23-16/h1-6,9,23H,7-8,10-11H2,(H3,21,22)(H,24,29)(H,27,28)