2-[[2-[[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid

Systemtic Name: 2-[[2-[[6-azanyl-2-[[2-(2-azanylethanoylamino)-3-oxidanyl-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid Openeye Name: 2-[[2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxy-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]pentanedioic acid CAS Name: 2-[[2-[[6-amino-2-[[2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxobutyl]amino]-1-oxohexyl]amino]-4-methyl-1-oxopentyl]amino]pentanedioic acid IUPAC Name: 2-[[2-[[6-amino-2-[[2-[(2-aminoacetyl)amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]pentanedioic acid Traditional Name: 2-[[2-[[6-amino-2-[[2-(glycylamino)-3-hydroxy-butanoyl]amino]hexanoyl]amino]-4-methyl-pentanoyl]amino]glutaric acid Formula: C23H42N6O9 MolecularWeight: 546.61438

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)CN

Isomeric SMILES

CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(C(C)O)NC(=O)CN

InChI

InChI=1S/C23H42N6O9/c1-12(2)10-16(21(35)27-15(23(37)38)7-8-18(32)33)28-20(34)14(6-4-5-9-24)26-22(36)19(13(3)30)29-17(31)11-25/h12-16,19,30H,4-11,24-25H2,1-3H3,(H,26,36)(H,27,35)(H,28,34)(H,29,31)(H,32,33)(H,37,38)