methyl (2S)-2-[[(2S)-4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoate

Systemtic Name: methyl (2S)-2-[[(2S)-4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoate Openeye Name: methyl (2S)-2-[[(2S)-4-acetylsulfanyl-2-(benzyloxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoate CAS Name: (2S)-2-[[(2S)-4-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-6,6-dimethoxyhexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-4-acetylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6,6-dimethoxyhexanoate Traditional Name: (2S)-2-[[(2S)-4-(acetylthio)-2-(benzyloxycarbonylamino)butanoyl]amino]-6,6-dimethoxy-hexanoic acid methyl ester Formula: C23H34N2O8S MolecularWeight: 498.58966

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(C(=O)NC(CCCC(OC)OC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)SCC[C@@H](C(=O)N[C@@H](CCCC(OC)OC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C23H34N2O8S/c1-16(26)34-14-13-18(25-23(29)33-15-17-9-6-5-7-10-17)21(27)24-19(22(28)32-4)11-8-12-20(30-2)31-3/h5-7,9-10,18-20H,8,11-15H2,1-4H3,(H,24,27)(H,25,29)/t18-,19-/m0/s1