2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-pyridin-3-yl-pentanoic acid

Systemtic Name: 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-pyridin-3-yl-pentanoic acid Openeye Name: 2-[[isobutyl(methylsulfonyl)amino]-(4-methylpentanoyl)amino]-5-(3-pyridyl)pentanoic acid CAS Name: 2-[(4-methyl-1-oxopentyl)-[2-methylpropyl(methylsulfonyl)amino]amino]-5-(3-pyridinyl)pentanoic acid IUPAC Name: 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-pyridin-3-ylpentanoic acid Traditional Name: 2-[[isobutyl(mesyl)amino]-(4-methylpentanoyl)amino]-5-(3-pyridyl)valeric acid Formula: C21H35N3O5S MolecularWeight: 441.5847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)N(C(CCCC1=CN=CC=C1)C(=O)O)N(CC(C)C)S(=O)(=O)C

Isomeric SMILES

CC(C)CCC(=O)N(C(CCCC1=CN=CC=C1)C(=O)O)N(CC(C)C)S(=O)(=O)C

InChI

InChI=1S/C21H35N3O5S/c1-16(2)11-12-20(25)24(23(15-17(3)4)30(5,28)29)19(21(26)27)10-6-8-18-9-7-13-22-14-18/h7,9,13-14,16-17,19H,6,8,10-12,15H2,1-5H3,(H,26,27)