2-[cyclohexyl-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylsulfonyl]amino]propanoic acid

Systemtic Name: 2-[cyclohexyl-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylsulfonyl]amino]propanoic acid Openeye Name: 2-[[4-(tert-butoxycarbonylamino)phenyl]methylsulfonyl-cyclohexyl-amino]propanoic acid CAS Name: 2-[cyclohexyl-[[4-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]methylsulfonyl]amino]propanoic acid IUPAC Name: 2-[cyclohexyl-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]methylsulfonyl]amino]propanoic acid Traditional Name: 2-[[4-(tert-butoxycarbonylamino)benzyl]sulfonyl-cyclohexyl-amino]propionic acid Formula: C21H32N2O6S MolecularWeight: 440.55358

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1CCCCC1)S(=O)(=O)CC2=CC=C(C=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C(=O)O)N(C1CCCCC1)S(=O)(=O)CC2=CC=C(C=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H32N2O6S/c1-15(19(24)25)23(18-8-6-5-7-9-18)30(27,28)14-16-10-12-17(13-11-16)22-20(26)29-21(2,3)4/h10-13,15,18H,5-9,14H2,1-4H3,(H,22,26)(H,24,25)