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

Systemtic Name: ethyl (2S,3S)-3-(2-azanyl-5-cyclopentyloxy-phenyl)sulfanyl-3-(4-methoxyphenyl)-2-oxidanyl-propanoate Openeye Name: ethyl (2S,3S)-3-[2-amino-5-(cyclopentoxy)phenyl]sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate CAS Name: (2S,3S)-3-[(2-amino-5-cyclopentyloxyphenyl)thio]-2-hydroxy-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3S)-3-(2-amino-5-cyclopentyloxyphenyl)sulfanyl-2-hydroxy-3-(4-methoxyphenyl)propanoate Traditional Name: (2S,3S)-3-[[2-amino-5-(cyclopentoxy)phenyl]thio]-2-hydroxy-3-(4-methoxyphenyl)propionic acid ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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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)OC3CCCC3)N)O

Isomeric SMILES

CCOC(=O)[C@@H]([C@H](C1=CC=C(C=C1)OC)SC2=C(C=CC(=C2)OC3CCCC3)N)O

InChI

InChI=1S/C23H29NO5S/c1-3-28-23(26)21(25)22(15-8-10-16(27-2)11-9-15)30-20-14-18(12-13-19(20)24)29-17-6-4-5-7-17/h8-14,17,21-22,25H,3-7,24H2,1-2H3/t21-,22+/m1/s1