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

Systemtic Name: 2-[2-[[2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-3-oxidanyl-propanoyl]amino]ethanoylamino]pentanedioic acid Openeye Name: 2-[[2-[[2-[(2-amino-3-sulfanyl-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]pentanedioic acid CAS Name: 2-[[2-[[2-[(2-amino-3-mercapto-1-oxopropyl)amino]-3-hydroxy-1-oxopropyl]amino]-1-oxoethyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-hydroxypropanoyl]amino]acetyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[2-[(2-amino-3-mercapto-propanoyl)amino]-3-hydroxy-propanoyl]amino]acetyl]amino]glutaric acid Formula: C13H22N4O8S MolecularWeight: 394.40078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22N4O8S/c14-6(5-26)11(22)17-8(4-18)12(23)15-3-9(19)16-7(13(24)25)1-2-10(20)21/h6-8,18,26H,1-5,14H2,(H,15,23)(H,16,19)(H,17,22)(H,20,21)(H,24,25)