2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]butanedioic acid

Systemtic Name: 2-[2-[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]butanedioic acid Openeye Name: 2-[2-[2-[(2-amino-3-sulfanyl-propanoyl)amino]propanoylamino]propanoylamino]butanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-1-oxopropyl]amino]-1-oxopropyl]amino]butanedioic acid IUPAC Name: 2-[2-[2-[(2-amino-3-sulfanylpropanoyl)amino]propanoylamino]propanoylamino]butanedioic acid Traditional Name: 2-[2-[2-[(2-amino-3-mercapto-propanoyl)amino]propanoylamino]propanoylamino]succinic acid Formula: C13H22N4O7S MolecularWeight: 378.40138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O7S/c1-5(16-12(22)7(14)4-25)10(20)15-6(2)11(21)17-8(13(23)24)3-9(18)19/h5-8,25H,3-4,14H2,1-2H3,(H,15,20)(H,16,22)(H,17,21)(H,18,19)(H,23,24)