methyl 5-[(2R,3R,4S)-3-bromanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiolan-2-yl]pentanoate

Systemtic Name: methyl 5-[(2R,3R,4S)-3-bromanyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiolan-2-yl]pentanoate Openeye Name: methyl 5-[(2R,3R,4S)-3-bromo-4-(tert-butoxycarbonylamino)tetrahydrothiophen-2-yl]pentanoate CAS Name: 5-[(2R,3R,4S)-3-bromo-4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-thiolanyl]pentanoic acid methyl ester IUPAC Name: methyl 5-[(2R,3R,4S)-3-bromo-4-[(2-methylpropan-2-yl)oxycarbonylamino]thiolan-2-yl]pentanoate Traditional Name: 5-[(2R,3R,4S)-3-bromo-4-(tert-butoxycarbonylamino)tetrahydrothiophen-2-yl]valeric acid methyl ester Formula: C15H26BrNO4S MolecularWeight: 396.34024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CSC(C1Br)CCCCC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CS[C@@H]([C@@H]1Br)CCCCC(=O)OC

InChI

InChI=1S/C15H26BrNO4S/c1-15(2,3)21-14(19)17-10-9-22-11(13(10)16)7-5-6-8-12(18)20-4/h10-11,13H,5-9H2,1-4H3,(H,17,19)/t10-,11+,13+/m0/s1