cyclohexane; (phenylmethyl) N-[1-[[(E)-1-acetamido-3-azanyl-3-oxidanylidene-prop-1-en-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate

Systemtic Name: cyclohexane; (phenylmethyl) N-[1-[[(E)-1-acetamido-3-azanyl-3-oxidanylidene-prop-1-en-2-yl]amino]-1-oxidanylidene-propan-2-yl]carbamate Openeye Name: benzyl N-[2-[[(E)-2-acetamido-1-carbamoyl-vinyl]amino]-1-methyl-2-oxo-ethyl]carbamate; cyclohexane CAS Name: N-[1-[[(E)-1-acetamido-3-amino-3-oxoprop-1-en-2-yl]amino]-1-oxopropan-2-yl]carbamic acid (phenylmethyl) ester; cyclohexane IUPAC Name: benzyl N-[1-[[(E)-1-acetamido-3-amino-3-oxoprop-1-en-2-yl]amino]-1-oxopropan-2-yl]carbamate; cyclohexane Traditional Name: N-[2-[[(E)-2-acetamido-1-carbamoyl-vinyl]amino]-2-keto-1-methyl-ethyl]carbamic acid benzyl ester; cyclohexane Formula: C22H32N4O5 MolecularWeight: 432.51328

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=CNC(=O)C)C(=O)N)NC(=O)OCC1=CC=CC=C1.C1CCCCC1

Isomeric SMILES

CC(C(=O)N/C(=C/NC(=O)C)/C(=O)N)NC(=O)OCC1=CC=CC=C1.C1CCCCC1

InChI

InChI=1S/C16H20N4O5.C6H12/c1-10(15(23)20-13(14(17)22)8-18-11(2)21)19-16(24)25-9-12-6-4-3-5-7-12;1-2-4-6-5-3-1/h3-8,10H,9H2,1-2H3,(H2,17,22)(H,18,21)(H,19,24)(H,20,23);1-6H2/b13-8+;