2-[2-[2-[(3-oxidanylidene-2-sulfanyl-butanoyl)amino]ethanoylamino]ethanoylamino]hexanoic acid

Systemtic Name: 2-[2-[2-[(3-oxidanylidene-2-sulfanyl-butanoyl)amino]ethanoylamino]ethanoylamino]hexanoic acid Openeye Name: 2-[[2-[[2-[(3-oxo-2-sulfanyl-butanoyl)amino]acetyl]amino]acetyl]amino]hexanoic acid CAS Name: 2-[[2-[[2-[(2-mercapto-1,3-dioxobutyl)amino]-1-oxoethyl]amino]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 2-[[2-[[2-[(3-oxo-2-sulfanylbutanoyl)amino]acetyl]amino]acetyl]amino]hexanoic acid Traditional Name: 2-[[2-[[2-[(3-keto-2-mercapto-butanoyl)amino]acetyl]amino]acetyl]amino]hexanoic acid Formula: C14H23N3O6S MolecularWeight: 361.41392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)C(C(=O)C)S

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CNC(=O)CNC(=O)C(C(=O)C)S

InChI

InChI=1S/C14H23N3O6S/c1-3-4-5-9(14(22)23)17-11(20)7-15-10(19)6-16-13(21)12(24)8(2)18/h9,12,24H,3-7H2,1-2H3,(H,15,19)(H,16,21)(H,17,20)(H,22,23)