tert-butyl 2-[2-[(3-methyl-2-oxidanyl-hexanoyl)amino]ethanoylamino]-2-phenyl-ethanoate

Systemtic Name: tert-butyl 2-[2-[(3-methyl-2-oxidanyl-hexanoyl)amino]ethanoylamino]-2-phenyl-ethanoate Openeye Name: tert-butyl 2-[[2-[(2-hydroxy-3-methyl-hexanoyl)amino]acetyl]amino]-2-phenyl-acetate CAS Name: 2-[[2-[(2-hydroxy-3-methyl-1-oxohexyl)amino]-1-oxoethyl]amino]-2-phenylacetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-[(2-hydroxy-3-methylhexanoyl)amino]acetyl]amino]-2-phenylacetate Traditional Name: 2-[[2-[(2-hydroxy-3-methyl-hexanoyl)amino]acetyl]amino]-2-phenyl-acetic acid tert-butyl ester Formula: C21H32N2O5 MolecularWeight: 392.48918

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)O

Isomeric SMILES

CCCC(C)C(C(=O)NCC(=O)NC(C1=CC=CC=C1)C(=O)OC(C)(C)C)O

InChI

InChI=1S/C21H32N2O5/c1-6-10-14(2)18(25)19(26)22-13-16(24)23-17(15-11-8-7-9-12-15)20(27)28-21(3,4)5/h7-9,11-12,14,17-18,25H,6,10,13H2,1-5H3,(H,22,26)(H,23,24)