2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-3-mercapto-propanoyl]amino]-3-hydroxy-propionic acid Formula: C12H22N4O6S MolecularWeight: 350.39128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H22N4O6S/c1-5(13)9(18)14-6(2)10(19)16-8(4-23)11(20)15-7(3-17)12(21)22/h5-8,17,23H,3-4,13H2,1-2H3,(H,14,18)(H,15,20)(H,16,19)(H,21,22)