cyclohexyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: cyclohexyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid cyclohexyl ester Formula: C33H37N5O4 MolecularWeight: 567.67798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2C(=O)N(CC3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)C(=N)N)CCC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2C(=O)N(CC3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)C(=N)N)CCC5=CC=CC=C5

InChI

InChI=1S/C33H37N5O4/c34-31(35)23-11-13-24(14-12-23)32(40)36-26-15-16-28-25(19-26)21-38(18-17-22-7-3-1-4-8-22)33(41)29(37-28)20-30(39)42-27-9-5-2-6-10-27/h1,3-4,7-8,11-16,19,27,29,37H,2,5-6,9-10,17-18,20-21H2,(H3,34,35)(H,36,40)