1-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]-4-methylsulfanyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-4-(methylthio)-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]-4-methylsulfanylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]-4-(methylthio)butanoyl]proline Formula: C16H28N4O6S2 MolecularWeight: 436.54672

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CO)NC(=O)C(CS)N

Isomeric SMILES

CSCCC(C(=O)N1CCCC1C(=O)O)NC(=O)C(CO)NC(=O)C(CS)N

InChI

InChI=1S/C16H28N4O6S2/c1-28-6-4-10(15(24)20-5-2-3-12(20)16(25)26)18-14(23)11(7-21)19-13(22)9(17)8-27/h9-12,21,27H,2-8,17H2,1H3,(H,18,23)(H,19,22)(H,25,26)