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

Systemtic Name: 2-[[2-[2-(2-azanylpropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-oxidanyl-butanoic acid Openeye Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanyl-propanoyl]amino]-3-hydroxy-butanoic acid CAS Name: 2-[[2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-3-mercapto-1-oxopropyl]amino]-3-hydroxybutanoic acid IUPAC Name: 2-[[2-[2-(2-aminopropanoylamino)propanoylamino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoic acid Traditional Name: 2-[[2-[2-(alanylamino)propanoylamino]-3-mercapto-propanoyl]amino]-3-hydroxy-butyric acid Formula: C13H24N4O6S MolecularWeight: 364.41786

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H24N4O6S/c1-5(14)10(19)15-6(2)11(20)16-8(4-24)12(21)17-9(7(3)18)13(22)23/h5-9,18,24H,4,14H2,1-3H3,(H,15,19)(H,16,20)(H,17,21)(H,22,23)