methyl (2S,3S)-3-methyl-2-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoylamino]pentanoate

Systemtic Name: methyl (2S,3S)-3-methyl-2-[2-(4-oxidanylidene-4-thiophen-2-yl-butanoyl)oxyethanoylamino]pentanoate Openeye Name: methyl (2S,3S)-3-methyl-2-[[2-[4-oxo-4-(2-thienyl)butanoyl]oxyacetyl]amino]pentanoate CAS Name: (2S,3S)-2-[[2-(1,4-dioxo-4-thiophen-2-ylbutoxy)-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl (2S,3S)-3-methyl-2-[[2-(4-oxo-4-thiophen-2-ylbutanoyl)oxyacetyl]amino]pentanoate Traditional Name: (2S,3S)-2-[[2-[4-keto-4-(2-thienyl)butanoyl]oxyacetyl]amino]-3-methyl-valeric acid methyl ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)CCC(=O)C1=CC=CS1

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)OC)NC(=O)COC(=O)CCC(=O)C1=CC=CS1

InChI

InChI=1S/C17H23NO6S/c1-4-11(2)16(17(22)23-3)18-14(20)10-24-15(21)8-7-12(19)13-6-5-9-25-13/h5-6,9,11,16H,4,7-8,10H2,1-3H3,(H,18,20)/t11-,16-/m0/s1