5-[[(2S,4S)-1-(2-azanyl-2-oxidanylidene-ethyl)-4-ethanoylsulfanyl-pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[[(2S,4S)-1-(2-azanyl-2-oxidanylidene-ethyl)-4-ethanoylsulfanyl-pyrrolidin-2-yl]carbonylamino]benzene-1,3-dicarboxylic acid Openeye Name: 5-[[(2S,4S)-4-acetylsulfanyl-1-(2-amino-2-oxo-ethyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid CAS Name: 5-[[[(2S,4S)-4-(acetylthio)-1-(2-amino-2-oxoethyl)-2-pyrrolidinyl]-oxomethyl]amino]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[[(2S,4S)-4-acetylsulfanyl-1-(2-amino-2-oxoethyl)pyrrolidine-2-carbonyl]amino]benzene-1,3-dicarboxylic acid Traditional Name: 5-[[(2S,4S)-4-(acetylthio)-1-(2-amino-2-keto-ethyl)prolyl]amino]isophthalic acid Formula: C17H19N3O7S MolecularWeight: 409.41366

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC1CC(N(C1)CC(=O)N)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC(=O)S[C@H]1C[C@H](N(C1)CC(=O)N)C(=O)NC2=CC(=CC(=C2)C(=O)O)C(=O)O

InChI

InChI=1S/C17H19N3O7S/c1-8(21)28-12-5-13(20(6-12)7-14(18)22)15(23)19-11-3-9(16(24)25)2-10(4-11)17(26)27/h2-4,12-13H,5-7H2,1H3,(H2,18,22)(H,19,23)(H,24,25)(H,26,27)/t12-,13-/m0/s1