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

Systemtic Name: methyl (2S)-2-[[(2S)-4-ethanoylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6-oxidanylidene-hexanoate Openeye Name: methyl (2S)-2-[[(2S)-4-acetylsulfanyl-2-(benzyloxycarbonylamino)butanoyl]amino]-6-oxo-hexanoate CAS Name: (2S)-2-[[(2S)-4-(acetylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]-6-oxohexanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-4-acetylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]-6-oxohexanoate Traditional Name: (2S)-2-[[(2S)-4-(acetylthio)-2-(benzyloxycarbonylamino)butanoyl]amino]-6-keto-hexanoic acid methyl ester Formula: C21H28N2O7S MolecularWeight: 452.52122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O7S/c1-15(25)31-13-11-17(23-21(28)30-14-16-8-4-3-5-9-16)19(26)22-18(20(27)29-2)10-6-7-12-24/h3-5,8-9,12,17-18H,6-7,10-11,13-14H2,1-2H3,(H,22,26)(H,23,28)/t17-,18-/m0/s1