(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(4-methylsulfinylphenyl)methoxycarbonylamino]hexanoic acid

Systemtic Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(4-methylsulfinylphenyl)methoxycarbonylamino]hexanoic acid Openeye Name: (2S)-2-(tert-butoxycarbonylamino)-6-[(4-methylsulfinylphenyl)methoxycarbonylamino]hexanoic acid CAS Name: (2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-6-[[(4-methylsulfinylphenyl)methoxy-oxomethyl]amino]hexanoic acid IUPAC Name: (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-[(4-methylsulfinylphenyl)methoxycarbonylamino]hexanoic acid Traditional Name: (2S)-2-(tert-butoxycarbonylamino)-6-[(4-methylsulfinylbenzyl)oxycarbonylamino]hexanoic acid Formula: C20H30N2O7S MolecularWeight: 442.5264

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CCCCNC(=O)OCC1=CC=C(C=C1)S(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CCCCNC(=O)OCC1=CC=C(C=C1)S(=O)C)C(=O)O

InChI

InChI=1S/C20H30N2O7S/c1-20(2,3)29-19(26)22-16(17(23)24)7-5-6-12-21-18(25)28-13-14-8-10-15(11-9-14)30(4)27/h8-11,16H,5-7,12-13H2,1-4H3,(H,21,25)(H,22,26)(H,23,24)/t16-,30?/m0/s1