(phenylmethyl) 3-azanyl-4-[(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (phenylmethyl) 3-azanyl-4-[(1-azanyl-3-cyclohexyl-1-oxidanylidene-propan-2-yl)amino]-4-oxidanylidene-butanoate Openeye Name: benzyl 3-amino-4-[[2-amino-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]-4-oxo-butanoate CAS Name: 3-amino-4-[(1-amino-3-cyclohexyl-1-oxopropan-2-yl)amino]-4-oxobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-amino-4-[(1-amino-3-cyclohexyl-1-oxopropan-2-yl)amino]-4-oxobutanoate Traditional Name: 3-amino-4-[[2-amino-1-(cyclohexylmethyl)-2-keto-ethyl]amino]-4-keto-butyric acid benzyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)N)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N

Isomeric SMILES

C1CCC(CC1)CC(C(=O)N)NC(=O)C(CC(=O)OCC2=CC=CC=C2)N

InChI

InChI=1S/C20H29N3O4/c21-16(12-18(24)27-13-15-9-5-2-6-10-15)20(26)23-17(19(22)25)11-14-7-3-1-4-8-14/h2,5-6,9-10,14,16-17H,1,3-4,7-8,11-13,21H2,(H2,22,25)(H,23,26)