2-[[2-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-3-methyl-pentanoyl]-pyridin-3-yl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(1-ethoxy-4-methyl-1-oxidanylidene-pentan-2-yl)amino]-3-methyl-pentanoyl]-pyridin-3-yl-amino]ethanoic acid Openeye Name: 2-[[2-[(1-ethoxycarbonyl-3-methyl-butyl)amino]-3-methyl-pentanoyl]-(3-pyridyl)amino]acetic acid CAS Name: 2-[[2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-3-methyl-1-oxopentyl]-(3-pyridinyl)amino]acetic acid IUPAC Name: 2-[[2-[(1-ethoxy-4-methyl-1-oxopentan-2-yl)amino]-3-methylpentanoyl]-pyridin-3-ylamino]acetic acid Traditional Name: 2-[[2-[(1-carbethoxy-3-methyl-butyl)amino]-3-methyl-pentanoyl]-(3-pyridyl)amino]acetic acid Formula: C21H33N3O5 MolecularWeight: 407.50382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H33N3O5/c1-6-15(5)19(23-17(11-14(3)4)21(28)29-7-2)20(27)24(13-18(25)26)16-9-8-10-22-12-16/h8-10,12,14-15,17,19,23H,6-7,11,13H2,1-5H3,(H,25,26)