3-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid

Systemtic Name: 3-[8-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid Openeye Name: 3-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid CAS Name: 3-[8-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid IUPAC Name: 3-[8-[(4-carbamimidoylbenzoyl)amino]-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propanoic acid Traditional Name: 3-[8-[(4-amidinobenzoyl)amino]-3-keto-2,5-dihydro-1H-1,4-benzodiazepin-4-yl]propionic acid Formula: C20H21N5O4 MolecularWeight: 395.41184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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