1-[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[2-[[6-azanyl-2-[(2-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxo-pentanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-1,5-dioxopentyl)amino]-1-oxohexyl]amino]-3-methyl-1-oxobutyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-oxopentanoyl)amino]hexanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-[[6-amino-2-[(2-amino-5-hydroxy-5-keto-pentanoyl)amino]hexanoyl]amino]-3-methyl-butanoyl]proline Formula: C21H37N5O7 MolecularWeight: 471.54778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

Isomeric SMILES

CC(C)C(C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)N

InChI

InChI=1S/C21H37N5O7/c1-12(2)17(20(31)26-11-5-7-15(26)21(32)33)25-19(30)14(6-3-4-10-22)24-18(29)13(23)8-9-16(27)28/h12-15,17H,3-11,22-23H2,1-2H3,(H,24,29)(H,25,30)(H,27,28)(H,32,33)