(2S,3R)-2-azanyl-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one; (E)-but-2-enedioic acid

Systemtic Name: (2S,3R)-2-azanyl-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one; (E)-but-2-enedioic acid Openeye Name: (2S,3R)-2-amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one; fumaric acid CAS Name: (2S,3R)-2-amino-3-methyl-1-(3-thiazolidinyl)-1-pentanone; (E)-2-butenedioic acid IUPAC Name: (2S,3R)-2-amino-3-methyl-1-(1,3-thiazolidin-3-yl)pentan-1-one; (E)-but-2-enedioic acid Traditional Name: (2S,3R)-2-amino-3-methyl-1-thiazolidin-3-yl-pentan-1-one; fumaric acid Formula: C13H22N2O5S MolecularWeight: 318.38918

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)N1CCSC1)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

CC[C@@H](C)[C@@H](C(=O)N1CCSC1)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C9H18N2OS.C4H4O4/c1-3-7(2)8(10)9(12)11-4-5-13-6-11;5-3(6)1-2-4(7)8/h7-8H,3-6,10H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+/t7-,8+;/m1./s1