2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(5-sulfopentoxy)phenyl]propanoic acid

Systemtic Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(5-sulfopentoxy)phenyl]propanoic acid Openeye Name: 2-(tert-butoxycarbonylamino)-3-[4-(5-sulfopentoxy)phenyl]propanoic acid CAS Name: 2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-[4-(5-sulfopentoxy)phenyl]propanoic acid IUPAC Name: 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[4-(5-sulfopentoxy)phenyl]propanoic acid Traditional Name: 2-(tert-butoxycarbonylamino)-3-[4-(5-sulfopentoxy)phenyl]propionic acid Formula: C19H29NO8S MolecularWeight: 431.50046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCCCCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OCCCCCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C19H29NO8S/c1-19(2,3)28-18(23)20-16(17(21)22)13-14-7-9-15(10-8-14)27-11-5-4-6-12-29(24,25)26/h7-10,16H,4-6,11-13H2,1-3H3,(H,20,23)(H,21,22)(H,24,25,26)