2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-4-(methylthio)butyric acid Formula: C13H24N4O6S2 MolecularWeight: 396.48286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N4O6S2/c1-25-3-2-8(13(22)23)16-10(19)4-15-12(21)9(5-18)17-11(20)7(14)6-24/h7-9,18,24H,2-6,14H2,1H3,(H,15,21)(H,16,19)(H,17,20)(H,22,23)