3-[[5-[[(3,4-dimethoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]thiophen-2-yl]carbonylamino]propanoic acid

Systemtic Name: 3-[[5-[[(3,4-dimethoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]thiophen-2-yl]carbonylamino]propanoic acid Openeye Name: 3-[[5-[[(3,4-dimethoxyphenyl)methyl-[(4-isopropylphenyl)methyl]amino]methyl]thiophene-2-carbonyl]amino]propanoic acid CAS Name: 3-[[[5-[[(3,4-dimethoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-2-thiophenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[5-[[(3,4-dimethoxyphenyl)methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]thiophene-2-carbonyl]amino]propanoic acid Traditional Name: 3-[[5-[[(4-isopropylbenzyl)-veratryl-amino]methyl]thiophene-2-carbonyl]amino]propionic acid Formula: C28H34N2O5S MolecularWeight: 510.64496

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)CN(CC2=CC(=C(C=C2)OC)OC)CC3=CC=C(S3)C(=O)NCCC(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)CN(CC2=CC(=C(C=C2)OC)OC)CC3=CC=C(S3)C(=O)NCCC(=O)O

InChI

InChI=1S/C28H34N2O5S/c1-19(2)22-8-5-20(6-9-22)16-30(17-21-7-11-24(34-3)25(15-21)35-4)18-23-10-12-26(36-23)28(33)29-14-13-27(31)32/h5-12,15,19H,13-14,16-18H2,1-4H3,(H,29,33)(H,31,32)