[(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-pyrrolidin-1-ylcarbothioylsulfanylethanoate Openeye Name: [(1S)-2-(isopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate CAS Name: 2-[[1-pyrrolidinyl(sulfanylidene)methyl]thio]acetic acid [(2S)-1-oxo-1-[[oxo-(propan-2-ylamino)methyl]amino]propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylcarbamoylamino)propan-2-yl] 2-(pyrrolidine-1-carbothioylsulfanyl)acetate Traditional Name: 2-(pyrrolidine-1-carbothioylthio)acetic acid [(1S)-2-(isopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H23N3O4S2 MolecularWeight: 361.48012

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC(=O)C(C)OC(=O)CSC(=S)N1CCCC1

Isomeric SMILES

C[C@@H](C(=O)NC(=O)NC(C)C)OC(=O)CSC(=S)N1CCCC1

InChI

InChI=1S/C14H23N3O4S2/c1-9(2)15-13(20)16-12(19)10(3)21-11(18)8-23-14(22)17-6-4-5-7-17/h9-10H,4-8H2,1-3H3,(H2,15,16,19,20)/t10-/m0/s1