2-[[1-[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]pentanedioic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]pentanedioic acid Traditional Name: 2-[[1-[6-amino-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]hexanoyl]prolyl]amino]glutaric acid Formula: C21H35N5O9 MolecularWeight: 501.5307

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H35N5O9/c22-10-2-1-4-13(24-18(31)12(23)6-8-16(27)28)20(33)26-11-3-5-15(26)19(32)25-14(21(34)35)7-9-17(29)30/h12-15H,1-11,22-23H2,(H,24,31)(H,25,32)(H,27,28)(H,29,30)(H,34,35)