2-[(2-azanyl-4-carboxy-5,5-dimethyl-hexanoyl)-[[6-[azanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]carbonylamino]amino]pentanedioic acid

Systemtic Name: 2-[(2-azanyl-4-carboxy-5,5-dimethyl-hexanoyl)-[[6-[azanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]carbonylamino]amino]pentanedioic acid Openeye Name: 2-[[[6-[amino(tert-butoxycarbonyl)amino]pyridine-3-carbonyl]amino]-(2-amino-4-carboxy-5,5-dimethyl-hexanoyl)amino]pentanedioic acid CAS Name: 2-[(2-amino-4-carboxy-5,5-dimethyl-1-oxohexyl)-[[[6-[amino-[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-pyridinyl]-oxomethyl]amino]amino]pentanedioic acid IUPAC Name: 2-[(2-amino-4-carboxy-5,5-dimethylhexanoyl)-[[6-[amino-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridine-3-carbonyl]amino]amino]pentanedioic acid Traditional Name: 2-[[[6-[amino(tert-butoxycarbonyl)amino]nicotinoyl]amino]-(2-amino-4-carboxy-5,5-dimethyl-hexanoyl)amino]glutaric acid Formula: C25H38N6O10 MolecularWeight: 582.60342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C(=O)N(C(CCC(=O)O)C(=O)O)NC(=O)C1=CN=C(C=C1)N(C(=O)OC(C)(C)C)N)N)C(=O)O

Isomeric SMILES

CC(C)(C)C(CC(C(=O)N(C(CCC(=O)O)C(=O)O)NC(=O)C1=CN=C(C=C1)N(C(=O)OC(C)(C)C)N)N)C(=O)O

InChI

InChI=1S/C25H38N6O10/c1-24(2,3)14(21(36)37)11-15(26)20(35)31(16(22(38)39)8-10-18(32)33)29-19(34)13-7-9-17(28-12-13)30(27)23(40)41-25(4,5)6/h7,9,12,14-16H,8,10-11,26-27H2,1-6H3,(H,29,34)(H,32,33)(H,36,37)(H,38,39)