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

Systemtic Name: ethyl (2S)-2-[[(3S)-3-azanyl-4-(cyclohexylmethylsulfanyl)-2-oxidanyl-butanoyl]amino]propanoate Openeye Name: ethyl (2S)-2-[[(3S)-3-amino-4-(cyclohexylmethylsulfanyl)-2-hydroxy-butanoyl]amino]propanoate CAS Name: (2S)-2-[[(3S)-3-amino-4-(cyclohexylmethylthio)-2-hydroxy-1-oxobutyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[[(3S)-3-amino-4-(cyclohexylmethylsulfanyl)-2-hydroxybutanoyl]amino]propanoate Traditional Name: (2S)-2-[[(3S)-3-amino-4-(cyclohexylmethylthio)-2-hydroxy-butanoyl]amino]propionic acid ethyl ester Formula: C16H30N2O4S MolecularWeight: 346.4854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)NC(=O)C(C(CSCC1CCCCC1)N)O

Isomeric SMILES

CCOC(=O)[C@H](C)NC(=O)C([C@@H](CSCC1CCCCC1)N)O

InChI

InChI=1S/C16H30N2O4S/c1-3-22-16(21)11(2)18-15(20)14(19)13(17)10-23-9-12-7-5-4-6-8-12/h11-14,19H,3-10,17H2,1-2H3,(H,18,20)/t11-,13+,14?/m0/s1