methyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[3-(2-azanyl-2-oxidanylidene-ethyl)sulfanylpropanoylamino]-3-oxidanyl-propanoate Openeye Name: methyl 2-[3-(2-amino-2-oxo-ethyl)sulfanylpropanoylamino]-3-hydroxy-propanoate CAS Name: 2-[[3-[(2-amino-2-oxoethyl)thio]-1-oxopropyl]amino]-3-hydroxypropanoic acid methyl ester IUPAC Name: methyl 2-[3-(2-amino-2-oxoethyl)sulfanylpropanoylamino]-3-hydroxypropanoate Traditional Name: 2-[3-[(2-amino-2-keto-ethyl)thio]propanoylamino]-3-hydroxy-propionic acid methyl ester Formula: C9H16N2O5S MolecularWeight: 264.29874

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CO)NC(=O)CCSCC(=O)N

Isomeric SMILES

COC(=O)C(CO)NC(=O)CCSCC(=O)N

InChI

InChI=1S/C9H16N2O5S/c1-16-9(15)6(4-12)11-8(14)2-3-17-5-7(10)13/h6,12H,2-5H2,1H3,(H2,10,13)(H,11,14)