propan-2-yl (1R,3S)-1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentane-1-sulfonate

Systemtic Name: propan-2-yl (1R,3S)-1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentane-1-sulfonate Openeye Name: isopropyl (1R,3S)-3-(tert-butoxycarbonylamino)-1-(4-tert-butylphenyl)pentane-1-sulfonate CAS Name: (1R,3S)-1-(4-tert-butylphenyl)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-pentanesulfonic acid IUPAC Name: propan-2-yl (1R,3S)-1-(4-tert-butylphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pentane-1-sulfonate Traditional Name: (1R,3S)-3-(tert-butoxycarbonylamino)-1-(4-tert-butylphenyl)pentane-1-sulfonic acid isopropyl ester Formula: C23H39NO5S MolecularWeight: 441.62446

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C1=CC=C(C=C1)C(C)(C)C)S(=O)(=O)OC(C)C)NC(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO5S/c1-10-19(24-21(25)28-23(7,8)9)15-20(30(26,27)29-16(2)3)17-11-13-18(14-12-17)22(4,5)6/h11-14,16,19-20H,10,15H2,1-9H3,(H,24,25)/t19-,20+/m0/s1