ethyl (2S)-2-[[(3S)-3-azanyl-4-(2-methylpropylsulfanyl)-2-oxidanyl-butanoyl]amino]propanoate

Systemtic Name: ethyl (2S)-2-[[(3S)-3-azanyl-4-(2-methylpropylsulfanyl)-2-oxidanyl-butanoyl]amino]propanoate Openeye Name: ethyl (2S)-2-[[(3S)-3-amino-2-hydroxy-4-isobutylsulfanyl-butanoyl]amino]propanoate CAS Name: (2S)-2-[[(3S)-3-amino-2-hydroxy-4-(2-methylpropylthio)-1-oxobutyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(3S)-3-amino-2-hydroxy-4-(2-methylpropylsulfanyl)butanoyl]amino]propanoate Traditional Name: (2S)-2-[[(3S)-3-amino-2-hydroxy-4-(isobutylthio)butanoyl]amino]propionic acid ethyl ester Formula: C13H26N2O4S MolecularWeight: 306.42154

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C(C(CSCC(C)C)N)O

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)C([C@@H](CSCC(C)C)N)O

InChI

InChI=1S/C13H26N2O4S/c1-5-19-13(18)9(4)15-12(17)11(16)10(14)7-20-6-8(2)3/h8-11,16H,5-7,14H2,1-4H3,(H,15,17)/t9-,10+,11?/m0/s1