3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]oxyphenyl]propanoic acid

Systemtic Name: 3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanyl-propanoyl]oxyphenyl]propanoic acid Openeye Name: 3-[2-[2-(tert-butoxycarbonylamino)-3-sulfanyl-propanoyl]oxyphenyl]propanoic acid CAS Name: 3-[2-[3-mercapto-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxopropoxy]phenyl]propanoic acid IUPAC Name: 3-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-sulfanylpropanoyl]oxyphenyl]propanoic acid Traditional Name: 3-[2-[2-(tert-butoxycarbonylamino)-3-mercapto-propanoyl]oxyphenyl]propionic acid Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CS)C(=O)OC1=CC=CC=C1CCC(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)NC(CS)C(=O)OC1=CC=CC=C1CCC(=O)O

InChI

InChI=1S/C17H23NO6S/c1-17(2,3)24-16(22)18-12(10-25)15(21)23-13-7-5-4-6-11(13)8-9-14(19)20/h4-7,12,25H,8-10H2,1-3H3,(H,18,22)(H,19,20)