3-azanyl-4-[[1-methoxy-2-[(5-methylthiophen-2-yl)methyl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-azanyl-4-[[1-methoxy-2-[(5-methylthiophen-2-yl)methyl]-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 3-amino-4-[[2-methoxy-1-[(5-methyl-2-thienyl)methyl]-2-oxo-1-(sulfanylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: 3-amino-4-[[2-(mercaptomethyl)-1-methoxy-3-(5-methyl-2-thiophenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: 3-amino-4-[[1-methoxy-2-[(5-methylthiophen-2-yl)methyl]-1-oxo-3-sulfanylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: 3-amino-4-keto-4-[[2-keto-1-(mercaptomethyl)-2-methoxy-1-[(5-methyl-2-thienyl)methyl]ethyl]amino]butyric acid Formula: C14H20N2O5S2 MolecularWeight: 360.449

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CC(CS)(C(=O)OC)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC1=CC=C(S1)CC(CS)(C(=O)OC)NC(=O)C(CC(=O)O)N

InChI

InChI=1S/C14H20N2O5S2/c1-8-3-4-9(23-8)6-14(7-22,13(20)21-2)16-12(19)10(15)5-11(17)18/h3-4,10,22H,5-7,15H2,1-2H3,(H,16,19)(H,17,18)