ethyl (2S,3S)-3-(2-azanyl-5-propan-2-yl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate

Systemtic Name: ethyl (2S,3S)-3-(2-azanyl-5-propan-2-yl-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2S,3S)-3-(2-amino-5-isopropyl-phenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-amino-5-propan-2-ylphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(2-amino-5-propan-2-ylphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[(2-amino-5-isopropyl-phenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C21H27NO4S MolecularWeight: 389.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)OC)SC2=C(C=CC(=C2)C(C)C)N)O

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)OC)SC2=C(C=CC(=C2)C(C)C)N)O

InChI

InChI=1S/C21H27NO4S/c1-5-26-21(24)19(23)20(14-6-9-16(25-4)10-7-14)27-18-12-15(13(2)3)8-11-17(18)22/h6-13,19-20,23H,5,22H2,1-4H3/t19-,20+/m1/s1