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

Systemtic Name: cyclohexyl 2-[7-[(4-carbamimidoylphenyl)carbonylamino]-3-oxidanylidene-4-phenethyl-5H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: cyclohexyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[7-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[7-[(4-carbamimidoylbenzoyl)amino]-3-oxo-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[7-[(4-amidinobenzoyl)amino]-3-keto-4-phenethyl-5H-1,4-benzodiazepin-2-yl]acetic acid cyclohexyl ester Formula: C33H35N5O4 MolecularWeight: 565.6621

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CC2=NC3=C(CN(C2=O)CCC4=CC=CC=C4)C=C(C=C3)NC(=O)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

C1CCC(CC1)OC(=O)CC2=NC3=C(CN(C2=O)CCC4=CC=CC=C4)C=C(C=C3)NC(=O)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C33H35N5O4/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/h1,3-4,7-8,11-16,19,27H,2,5-6,9-10,17-18,20-21H2,(H3,34,35)(H,36,40)