propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[3-(phenylcarbamoylamino)propanoylamino]propanoate

Systemtic Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[3-(phenylcarbamoylamino)propanoylamino]propanoate Openeye Name: isopropyl (3S)-3-(4-methoxyphenyl)-3-[3-(phenylcarbamoylamino)propanoylamino]propanoate CAS Name: (3S)-3-[[3-[[anilino(oxo)methyl]amino]-1-oxopropyl]amino]-3-(4-methoxyphenyl)propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl (3S)-3-(4-methoxyphenyl)-3-[3-(phenylcarbamoylamino)propanoylamino]propanoate Traditional Name: (3S)-3-(4-methoxyphenyl)-3-[3-(phenylcarbamoylamino)propanoylamino]propionic acid isopropyl ester Formula: C23H29N3O5 MolecularWeight: 427.49346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)CCNC(=O)NC2=CC=CC=C2

Isomeric SMILES

CC(C)OC(=O)C[C@@H](C1=CC=C(C=C1)OC)NC(=O)CCNC(=O)NC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O5/c1-16(2)31-22(28)15-20(17-9-11-19(30-3)12-10-17)26-21(27)13-14-24-23(29)25-18-7-5-4-6-8-18/h4-12,16,20H,13-15H2,1-3H3,(H,26,27)(H2,24,25,29)/t20-/m0/s1