2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid hydrate

Systemtic Name: 2-azanyl-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid hydrate Openeye Name: 2-amino-3-[(4-methoxyphenyl)-diphenyl-methyl]sulfanyl-propanoic acid hydrate CAS Name: 2-amino-3-[[(4-methoxyphenyl)-diphenylmethyl]thio]propanoic acid hydrate IUPAC Name: 2-amino-3-[(4-methoxyphenyl)-diphenylmethyl]sulfanylpropanoic acid hydrate Traditional Name: 2-amino-3-[[(4-methoxyphenyl)-diphenyl-methyl]thio]propionic acid hydrate Formula: C23H25NO4S MolecularWeight: 411.5139

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N.O

Isomeric SMILES

COC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)SCC(C(=O)O)N.O

InChI

InChI=1S/C23H23NO3S.H2O/c1-27-20-14-12-19(13-15-20)23(17-8-4-2-5-9-17,18-10-6-3-7-11-18)28-16-21(24)22(25)26;/h2-15,21H,16,24H2,1H3,(H,25,26);1H2