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

Systemtic Name: 2-[8-[(4-carbamimidoylphenyl)methylcarbamoyl]-4-methyl-3-oxidanylidene-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[8-[(4-carbamimidoylphenyl)methylcarbamoyl]-4-methyl-3-oxo-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[8-[[(4-carbamimidoylphenyl)methylamino]-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-amidinobenzyl)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)NCC3=CC=C(C=C3)C(=N)N)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)NC(C1=O)CC(=O)O

InChI

InChI=1S/C21H23N5O4/c1-26-11-15-7-6-14(8-16(15)25-17(21(26)30)9-18(27)28)20(29)24-10-12-2-4-13(5-3-12)19(22)23/h2-8,17,25H,9-11H2,1H3,(H3,22,23)(H,24,29)(H,27,28)