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

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-1-methyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[7-[(4-carbamimidoylanilino)-oxomethyl]-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)carbamoyl]-1-methyl-3-oxo-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[7-[(4-amidinophenyl)carbamoyl]-3-keto-1-methyl-4-phenethyl-2,5-dihydro-1,4-benzodiazepin-2-yl]acetic acid Formula: C28H29N5O4 MolecularWeight: 499.56096

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

Isomeric SMILES

CN1C(C(=O)N(CC2=C1C=CC(=C2)C(=O)NC3=CC=C(C=C3)C(=N)N)CCC4=CC=CC=C4)CC(=O)O

InChI

InChI=1S/C28H29N5O4/c1-32-23-12-9-20(27(36)31-22-10-7-19(8-11-22)26(29)30)15-21(23)17-33(28(37)24(32)16-25(34)35)14-13-18-5-3-2-4-6-18/h2-12,15,24H,13-14,16-17H2,1H3,(H3,29,30)(H,31,36)(H,34,35)