2-[(2-azanyl-4-carboxy-5,5-dimethyl-hexanoyl)-[[6-[azanyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyridin-3-yl]carbonylamino]amino]-4-(phenylmethyl)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]-4-(phenylmethyl)pentanedioic acid Openeye Name: 2-[[[6-[amino(tert-butoxycarbonyl)amino]pyridine-3-carbonyl]amino]-(2-amino-4-carboxy-5,5-dimethyl-hexanoyl)amino]-4-benzyl-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]-4-(phenylmethyl)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]-4-benzylpentanedioic acid Traditional Name: 2-[[[6-[amino(tert-butoxycarbonyl)amino]nicotinoyl]amino]-(2-amino-4-carboxy-5,5-dimethyl-hexanoyl)amino]-4-benzyl-glutaric acid Formula: C32H44N6O10 MolecularWeight: 672.72596

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C(=O)N(C(CC(CC1=CC=CC=C1)C(=O)O)C(=O)O)NC(=O)C2=CN=C(C=C2)N(C(=O)OC(C)(C)C)N)N)C(=O)O

Isomeric SMILES

CC(C)(C)C(CC(C(=O)N(C(CC(CC1=CC=CC=C1)C(=O)O)C(=O)O)NC(=O)C2=CN=C(C=C2)N(C(=O)OC(C)(C)C)N)N)C(=O)O

InChI

InChI=1S/C32H44N6O10/c1-31(2,3)21(28(43)44)16-22(33)26(40)38(23(29(45)46)15-20(27(41)42)14-18-10-8-7-9-11-18)36-25(39)19-12-13-24(35-17-19)37(34)30(47)48-32(4,5)6/h7-13,17,20-23H,14-16,33-34H2,1-6H3,(H,36,39)(H,41,42)(H,43,44)(H,45,46)