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

Systemtic Name: 6-azanyl-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid Openeye Name: 6-amino-2-[[2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]hexanoic acid CAS Name: 6-amino-2-[[4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]hexanoic acid IUPAC Name: 6-amino-2-[[4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid Traditional Name: 6-amino-2-[[2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]hexanoic acid Formula: C19H29N3O5S MolecularWeight: 411.51566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O5S/c1-28-12-10-15(17(23)21-16(18(24)25)9-5-6-11-20)22-19(26)27-13-14-7-3-2-4-8-14/h2-4,7-8,15-16H,5-6,9-13,20H2,1H3,(H,21,23)(H,22,26)(H,24,25)