chloromethyl 2,2-dimethyl-5-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-pentanoate

Systemtic Name: chloromethyl 2,2-dimethyl-5-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxy-pentanoate Openeye Name: chloromethyl 5-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2,2-dimethyl-pentanoate CAS Name: 2,2-dimethyl-5-[(2S)-3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)butoxy]pentanoic acid chloromethyl ester IUPAC Name: chloromethyl 2,2-dimethyl-5-[(2S)-3-methyl-2-(phenylmethoxycarbonylamino)butanoyl]oxypentanoate Traditional Name: 5-[(2S)-2-(benzyloxycarbonylamino)-3-methyl-butanoyl]oxy-2,2-dimethyl-valeric acid chloromethyl ester Formula: C21H30ClNO6 MolecularWeight: 427.919

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCCCC(C)(C)C(=O)OCCl)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@@H](C(=O)OCCCC(C)(C)C(=O)OCCl)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C21H30ClNO6/c1-15(2)17(23-20(26)28-13-16-9-6-5-7-10-16)18(24)27-12-8-11-21(3,4)19(25)29-14-22/h5-7,9-10,15,17H,8,11-14H2,1-4H3,(H,23,26)/t17-/m0/s1