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

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]-3-hydroxy-butyric acid Formula: C12H22N4O7S MolecularWeight: 366.39068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N4O7S/c1-5(18)9(12(22)23)16-8(19)2-14-11(21)7(3-17)15-10(20)6(13)4-24/h5-7,9,17-18,24H,2-4,13H2,1H3,(H,14,21)(H,15,20)(H,16,19)(H,22,23)