tert-butyl (2S)-5-[(4-methylphenyl)sulfonyl-phenylmethoxy-amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate

Systemtic Name: tert-butyl (2S)-5-[(4-methylphenyl)sulfonyl-phenylmethoxy-amino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Openeye Name: tert-butyl (2S)-5-[benzyloxy(p-tolylsulfonyl)amino]-2-(tert-butoxycarbonylamino)pentanoate CAS Name: (2S)-5-[(4-methylphenyl)sulfonyl-phenylmethoxyamino]-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]pentanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-5-[(4-methylphenyl)sulfonyl-phenylmethoxyamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoate Traditional Name: (2S)-5-[benzoxy(tosyl)amino]-2-(tert-butoxycarbonylamino)valeric acid tert-butyl ester Formula: C28H40N2O7S MolecularWeight: 548.6914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CCCC(C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CCC[C@@H](C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)OCC2=CC=CC=C2

InChI

InChI=1S/C28H40N2O7S/c1-21-15-17-23(18-16-21)38(33,34)30(35-20-22-12-9-8-10-13-22)19-11-14-24(25(31)36-27(2,3)4)29-26(32)37-28(5,6)7/h8-10,12-13,15-18,24H,11,14,19-20H2,1-7H3,(H,29,32)/t24-/m0/s1