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

Systemtic Name: 1-[4-azanyl-2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxidanylidene-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[4-amino-2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]-4-oxo-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[4-amino-2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1,4-dioxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[4-amino-2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]-4-oxobutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[4-amino-2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]-4-keto-butanoyl]proline Formula: C15H25N5O6S MolecularWeight: 403.4539

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)O)NC(=O)C(CS)N

Isomeric SMILES

CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)O)NC(=O)C(CS)N

InChI

InChI=1S/C15H25N5O6S/c1-7(18-13(23)8(16)6-27)12(22)19-9(5-11(17)21)14(24)20-4-2-3-10(20)15(25)26/h7-10,27H,2-6,16H2,1H3,(H2,17,21)(H,18,23)(H,19,22)(H,25,26)