tert-butyl (2S)-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: tert-butyl (2S)-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxy-propanoate Openeye Name: tert-butyl (2S)-3-benzyloxy-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]propanoate CAS Name: (2S)-2-[[(1R)-2-(tert-butylthio)-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxypropanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[(1R)-2-tert-butylsulfanyl-1-(4-methoxyphenyl)ethyl]amino]-3-phenylmethoxypropanoate Traditional Name: (2S)-3-benzoxy-2-[[(1R)-2-(tert-butylthio)-1-(4-methoxyphenyl)ethyl]amino]propionic acid tert-butyl ester Formula: C27H39NO4S MolecularWeight: 473.66786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(COCC1=CC=CC=C1)NC(CSC(C)(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)[C@H](COCC1=CC=CC=C1)N[C@@H](CSC(C)(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C27H39NO4S/c1-26(2,3)32-25(29)23(18-31-17-20-11-9-8-10-12-20)28-24(19-33-27(4,5)6)21-13-15-22(30-7)16-14-21/h8-16,23-24,28H,17-19H2,1-7H3/t23-,24-/m0/s1