ethyl 4-methyl-2-[[4-methyl-2-[(phenylmethylsulfanyl)carbonylamino]pentanoyl]amino]pentanoate

Systemtic Name: ethyl 4-methyl-2-[[4-methyl-2-[(phenylmethylsulfanyl)carbonylamino]pentanoyl]amino]pentanoate Openeye Name: ethyl 2-[[2-(benzylsulfanylcarbonylamino)-4-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: 4-methyl-2-[[4-methyl-1-oxo-2-[[oxo-(phenylmethylthio)methyl]amino]pentyl]amino]pentanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-(benzylsulfanylcarbonylamino)-4-methylpentanoyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-[(benzylthio)carbonylamino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid ethyl ester Formula: C22H34N2O4S MolecularWeight: 422.58136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)SCC1=CC=CC=C1

Isomeric SMILES

CCOC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)SCC1=CC=CC=C1

InChI

InChI=1S/C22H34N2O4S/c1-6-28-21(26)19(13-16(4)5)23-20(25)18(12-15(2)3)24-22(27)29-14-17-10-8-7-9-11-17/h7-11,15-16,18-19H,6,12-14H2,1-5H3,(H,23,25)(H,24,27)