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

Systemtic Name: methyl (2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cycloheptyl]carbonylamino]butanoate Openeye Name: methyl (2S)-2-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]-3-methyl-butanoate CAS Name: (2S)-3-methyl-2-[[oxo-[1-(phenylmethoxycarbonylamino)cycloheptyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl (2S)-3-methyl-2-[[1-(phenylmethoxycarbonylamino)cycloheptanecarbonyl]amino]butanoate Traditional Name: (2S)-2-[[1-(benzyloxycarbonylamino)cycloheptanecarbonyl]amino]-3-methyl-butyric acid methyl ester Formula: C22H32N2O5 MolecularWeight: 404.49988

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1(CCCCCC1)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)OC)NC(=O)C1(CCCCCC1)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H32N2O5/c1-16(2)18(19(25)28-3)23-20(26)22(13-9-4-5-10-14-22)24-21(27)29-15-17-11-7-6-8-12-17/h6-8,11-12,16,18H,4-5,9-10,13-15H2,1-3H3,(H,23,26)(H,24,27)/t18-/m0/s1