1-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]proline Formula: C13H22N4O6S MolecularWeight: 362.40198

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CNC(=O)C(CO)NC(=O)C(CS)N)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CNC(=O)C(CO)NC(=O)C(CS)N)C(=O)O

InChI

InChI=1S/C13H22N4O6S/c14-7(6-24)11(20)16-8(5-18)12(21)15-4-10(19)17-3-1-2-9(17)13(22)23/h7-9,18,24H,1-6,14H2,(H,15,21)(H,16,20)(H,22,23)