methyl (2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]butanoate

Systemtic Name: methyl (2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexyl]carbonylamino]butanoate Openeye Name: methyl (2S)-2-[[1-(benzyloxycarbonylamino)cyclohexanecarbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[1-(phenylmethoxycarbonylamino)cyclohexyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cyclohexanecarbonyl]amino]butanoate Traditional Name: (2S)-2-[[1-(benzyloxycarbonylamino)cyclohexanecarbonyl]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)C1(CCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1(CCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C21H30N2O5/c1-15(2)17(18(24)27-3)22-19(25)21(12-8-5-9-13-21)23-20(26)28-14-16-10-6-4-7-11-16/h4,6-7,10-11,15,17H,5,8-9,12-14H2,1-3H3,(H,22,25)(H,23,26)/t17-/m0/s1