methyl (2S)-2-(3-benzamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-(3-benzamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-(3-benzamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[(3-benzamido-1-oxopropyl)amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-(3-benzamidopropanoylamino)-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-(3-benzamidopropanoylamino)-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=C(C=C1)O)NC(=O)CCNC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)CCNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O5/c1-27-20(26)17(13-14-7-9-16(23)10-8-14)22-18(24)11-12-21-19(25)15-5-3-2-4-6-15/h2-10,17,23H,11-13H2,1H3,(H,21,25)(H,22,24)/t17-/m0/s1