2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6-oxidanylidene-hexanoic acid Openeye Name: 2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-6-oxo-hexanoic acid CAS Name: 2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-6-oxohexanoic acid IUPAC Name: 2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6-oxohexanoic acid Traditional Name: 2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-6-keto-hexanoic acid Formula: C19H26N2O6S MolecularWeight: 410.48454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCCC=O)C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CSCCC(C(=O)NC(CCCC=O)C(=O)O)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C19H26N2O6S/c1-28-12-10-15(17(23)20-16(18(24)25)9-5-6-11-22)21-19(26)27-13-14-7-3-2-4-8-14/h2-4,7-8,11,15-16H,5-6,9-10,12-13H2,1H3,(H,20,23)(H,21,26)(H,24,25)