2-azanyl-2-[3-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]-6,6-dimethoxy-hexanoic acid

Systemtic Name: 2-azanyl-2-[3-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]-6,6-dimethoxy-hexanoic acid Openeye Name: 2-[3-acetylsulfanyl-2-(benzyloxycarbonylamino)propanoyl]-2-amino-6,6-dimethoxy-hexanoic acid CAS Name: 2-[3-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]-2-amino-6,6-dimethoxyhexanoic acid IUPAC Name: 2-[3-acetylsulfanyl-2-(phenylmethoxycarbonylamino)propanoyl]-2-amino-6,6-dimethoxyhexanoic acid Traditional Name: 2-[3-(acetylthio)-2-(benzyloxycarbonylamino)propanoyl]-2-amino-6,6-dimethoxy-hexanoic acid Formula: C21H30N2O8S MolecularWeight: 470.5365

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(C(=O)C(CCCC(OC)OC)(C(=O)O)N)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCC(C(=O)C(CCCC(OC)OC)(C(=O)O)N)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30N2O8S/c1-14(24)32-13-16(23-20(28)31-12-15-8-5-4-6-9-15)18(25)21(22,19(26)27)11-7-10-17(29-2)30-3/h4-6,8-9,16-17H,7,10-13,22H2,1-3H3,(H,23,28)(H,26,27)