2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-(tert-butoxycarbonylamino)-3-sulfanyl-propyl]phenyl]acetic acid CAS Name: 2-[4-[3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropyl]phenyl]acetic acid Traditional Name: 2-[4-[2-(tert-butoxycarbonylamino)-3-mercapto-propyl]phenyl]acetic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23NO4S/c1-16(2,3)21-15(20)17-13(10-22)8-11-4-6-12(7-5-11)9-14(18)19/h4-7,13,22H,8-10H2,1-3H3,(H,17,20)(H,18,19)