methyl (2S)-2-[[(2R)-2-benzamido-2-(1-oxidanylcyclohexyl)ethanoyl]amino]-3-methyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2R)-2-benzamido-2-(1-oxidanylcyclohexyl)ethanoyl]amino]-3-methyl-butanoate Openeye Name: methyl (2S)-2-[[(2R)-2-benzamido-2-(1-hydroxycyclohexyl)acetyl]amino]-3-methyl-butanoate CAS Name: (2S)-2-[[(2R)-2-benzamido-2-(1-hydroxycyclohexyl)-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2R)-2-benzamido-2-(1-hydroxycyclohexyl)acetyl]amino]-3-methylbutanoate Traditional Name: (2S)-2-[[(2R)-2-benzamido-2-(1-hydroxycyclohexyl)acetyl]amino]-3-methyl-butyric acid methyl ester Formula: C21H30N2O5 MolecularWeight: 390.4733

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C(C1(CCCCC1)O)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)[C@@H](C1(CCCCC1)O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5/c1-14(2)16(20(26)28-3)22-19(25)17(21(27)12-8-5-9-13-21)23-18(24)15-10-6-4-7-11-15/h4,6-7,10-11,14,16-17,27H,5,8-9,12-13H2,1-3H3,(H,22,25)(H,23,24)/t16-,17-/m0/s1