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

Systemtic Name: 2-[[1-[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]pyrrolidin-2-yl]carbonylamino]butanedioic acid Openeye Name: 2-[[1-[6-amino-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid CAS Name: 2-[[[1-[6-amino-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxohexyl]-2-pyrrolidinyl]-oxomethyl]amino]butanedioic acid IUPAC Name: 2-[[1-[6-amino-2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]hexanoyl]pyrrolidine-2-carbonyl]amino]butanedioic acid Traditional Name: 2-[[1-[6-amino-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]hexanoyl]prolyl]amino]succinic acid Formula: C20H33N5O9 MolecularWeight: 487.50412

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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(CC(=O)O)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C20H33N5O9/c21-8-2-1-4-12(23-17(30)11(22)6-7-15(26)27)19(32)25-9-3-5-14(25)18(31)24-13(20(33)34)10-16(28)29/h11-14H,1-10,21-22H2,(H,23,30)(H,24,31)(H,26,27)(H,28,29)(H,33,34)