(2S)-2-[[(1S)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxy-propanoic acid

Systemtic Name: (2S)-2-[[(1S)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxy-propanoic acid Openeye Name: (2S)-3-benzyloxy-2-[[(1S)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]propanoic acid CAS Name: (2S)-2-[[(1S)-2-(tert-butylthio)-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxypropanoic acid IUPAC Name: (2S)-2-[[(1S)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxypropanoic acid Traditional Name: (2S)-3-benzoxy-2-[[(1S)-2-(tert-butylthio)-1-(4-methoxyphenyl)ethyl]amino]propionic acid Formula: C23H31NO4S MolecularWeight: 417.56154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC(C1=CC=C(C=C1)OC)NC(COCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC(C)(C)SC[C@H](C1=CC=C(C=C1)OC)N[C@@H](COCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C23H31NO4S/c1-23(2,3)29-16-21(18-10-12-19(27-4)13-11-18)24-20(22(25)26)15-28-14-17-8-6-5-7-9-17/h5-13,20-21,24H,14-16H2,1-4H3,(H,25,26)/t20-,21+/m0/s1