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

Systemtic Name: (3S)-3-azanyl-4-[[(2S)-1-methoxy-1-oxidanylidene-3-thiophen-2-yl-propan-2-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: (3S)-3-amino-4-[[(1S)-2-methoxy-2-oxo-1-(2-thienylmethyl)ethyl]amino]-4-oxo-butanoic acid CAS Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-4-oxobutanoic acid IUPAC Name: (3S)-3-amino-4-[[(2S)-1-methoxy-1-oxo-3-thiophen-2-ylpropan-2-yl]amino]-4-oxobutanoic acid Traditional Name: (3S)-3-amino-4-keto-4-[[(1S)-2-keto-2-methoxy-1-(2-thenyl)ethyl]amino]butyric acid Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CS1)NC(=O)C(CC(=O)O)N

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CS1)NC(=O)[C@H](CC(=O)O)N

InChI

InChI=1S/C12H16N2O5S/c1-19-12(18)9(5-7-3-2-4-20-7)14-11(17)8(13)6-10(15)16/h2-4,8-9H,5-6,13H2,1H3,(H,14,17)(H,15,16)/t8-,9-/m0/s1