3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]sulfanylpropanoic acid

Systemtic Name: 3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]sulfanylpropanoic acid Openeye Name: 3-[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]sulfanylpropanoic acid CAS Name: 3-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]thio]propanoic acid IUPAC Name: 3-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]sulfanylpropanoic acid Traditional Name: 3-[[(2S)-2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]thio]propionic acid Formula: C17H23NO5S MolecularWeight: 353.43322

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)SCCC(=O)O

InChI

InChI=1S/C17H23NO5S/c1-17(2,3)23-16(22)18-13(11-12-7-5-4-6-8-12)15(21)24-10-9-14(19)20/h4-8,13H,9-11H2,1-3H3,(H,18,22)(H,19,20)/t13-/m0/s1