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

Systemtic Name: 6-azanyl-2-[[4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]hexanoic acid Openeye Name: 2-[[4-acetylsulfanyl-2-(benzyloxycarbonylamino)butanoyl]amino]-6-amino-hexanoic acid CAS Name: 2-[[4-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-6-aminohexanoic acid IUPAC Name: 2-[[4-acetylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6-aminohexanoic acid Traditional Name: 2-[[4-(acetylthio)-2-(benzyloxycarbonylamino)butanoyl]amino]-6-amino-hexanoic acid Formula: C20H29N3O6S MolecularWeight: 439.52576

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O6S/c1-14(24)30-12-10-16(18(25)22-17(19(26)27)9-5-6-11-21)23-20(28)29-13-15-7-3-2-4-8-15/h2-4,7-8,16-17H,5-6,9-13,21H2,1H3,(H,22,25)(H,23,28)(H,26,27)