3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(thiophen-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[(1-methoxy-1-oxidanylidene-3-sulfanyl-propan-2-yl)-(thiophen-3-ylmethyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-2-oxo-1-(sulfanylmethyl)ethyl]-(3-thienylmethyl)amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[(3-mercapto-1-methoxy-1-oxopropan-2-yl)-(3-thiophenylmethyl)amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[(1-methoxy-1-oxo-3-sulfanylpropan-2-yl)-(thiophen-3-ylmethyl)amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-1-(mercaptomethyl)-2-methoxy-ethyl]-(3-thenyl)amino]butyric acid Formula: C13H18N2O5S2 MolecularWeight: 346.42242

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CS)N(CC1=CSC=C1)C(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)C(CS)N(CC1=CSC=C1)C(=O)C(CC(=O)O)N

InChI

InChI=1S/C13H18N2O5S2/c1-20-13(19)10(6-21)15(5-8-2-3-22-7-8)12(18)9(14)4-11(16)17/h2-3,7,9-10,21H,4-6,14H2,1H3,(H,16,17)