2-[[2-[(3-azanyl-5-phosphono-2-sulfanyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[(3-azanyl-5-phosphono-2-sulfanyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[(3-amino-5-phosphono-2-sulfanyl-pentanoyl)amino]-3-methyl-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[(3-amino-2-mercapto-1-oxo-5-phosphonopentyl)amino]-3-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[(3-amino-5-phosphono-2-sulfanylpentanoyl)amino]-3-methylpentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[(3-amino-2-mercapto-5-phosphono-pentanoyl)amino]-3-methyl-pentanoyl]amino]glutaric acid Formula: C16H30N3O9PS MolecularWeight: 471.462861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C(CCP(=O)(O)O)N)S

Isomeric SMILES

CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(C(CCP(=O)(O)O)N)S

InChI

InChI=1S/C16H30N3O9PS/c1-3-8(2)12(14(22)18-10(16(24)25)4-5-11(20)21)19-15(23)13(30)9(17)6-7-29(26,27)28/h8-10,12-13,30H,3-7,17H2,1-2H3,(H,18,22)(H,19,23)(H,20,21)(H,24,25)(H2,26,27,28)