tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-pyridin-3-yl-pentanoate

Systemtic Name: tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-pyridin-3-yl-pentanoate Openeye Name: tert-butyl 2-[[isobutyl(methylsulfonyl)amino]-(4-methylpentanoyl)amino]-5-(3-pyridyl)pentanoate CAS Name: 2-[(4-methyl-1-oxopentyl)-[2-methylpropyl(methylsulfonyl)amino]amino]-5-(3-pyridinyl)pentanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-methylpentanoyl-[2-methylpropyl(methylsulfonyl)amino]amino]-5-pyridin-3-ylpentanoate Traditional Name: 2-[[isobutyl(mesyl)amino]-(4-methylpentanoyl)amino]-5-(3-pyridyl)valeric acid tert-butyl ester Formula: C25H43N3O5S MolecularWeight: 497.69102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H43N3O5S/c1-19(2)14-15-23(29)28(27(18-20(3)4)34(8,31)32)22(24(30)33-25(5,6)7)13-9-11-21-12-10-16-26-17-21/h10,12,16-17,19-20,22H,9,11,13-15,18H2,1-8H3