tert-butyl (2S)-2-[[(2R)-2-benzamido-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate

Systemtic Name: tert-butyl (2S)-2-[[(2R)-2-benzamido-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate Openeye Name: tert-butyl (2S)-2-[[(2R)-2-benzamido-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-benzamido-4-methyl-1-oxopentyl]-methylamino]-3-methylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(2R)-2-benzamido-4-methylpentanoyl]-methylamino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-2-benzamido-4-methyl-pentanoyl]-methyl-amino]-3-methyl-butyric acid tert-butyl ester Formula: C23H36N2O4 MolecularWeight: 404.54294

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N(C)C(C(C)C)C(=O)OC(C)(C)C)NC(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@H](C(=O)N(C)[C@@H](C(C)C)C(=O)OC(C)(C)C)NC(=O)C1=CC=CC=C1

InChI

InChI=1S/C23H36N2O4/c1-15(2)14-18(24-20(26)17-12-10-9-11-13-17)21(27)25(8)19(16(3)4)22(28)29-23(5,6)7/h9-13,15-16,18-19H,14H2,1-8H3,(H,24,26)/t18-,19+/m1/s1