2-[(2-azanyl-3-phenyl-propanoyl)amino]-2-[(3-hexan-2-yloxyindol-1-yl)methyl]but-3-enoic acid

Systemtic Name: 2-[(2-azanyl-3-phenyl-propanoyl)amino]-2-[(3-hexan-2-yloxyindol-1-yl)methyl]but-3-enoic acid Openeye Name: 2-[(2-amino-3-phenyl-propanoyl)amino]-2-[[3-(1-methylpentoxy)indol-1-yl]methyl]but-3-enoic acid CAS Name: 2-[(2-amino-1-oxo-3-phenylpropyl)amino]-2-[(3-hexan-2-yloxy-1-indolyl)methyl]-3-butenoic acid IUPAC Name: 2-[(2-amino-3-phenylpropanoyl)amino]-2-[(3-hexan-2-yloxyindol-1-yl)methyl]but-3-enoic acid Traditional Name: 2-[[3-(1-methylpentoxy)indol-1-yl]methyl]-2-(phenylalanylamino)but-3-enoic acid Formula: C28H35N3O4 MolecularWeight: 477.5952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)OC1=CN(C2=CC=CC=C21)CC(C=C)(C(=O)O)NC(=O)C(CC3=CC=CC=C3)N

Isomeric SMILES

CCCCC(C)OC1=CN(C2=CC=CC=C21)CC(C=C)(C(=O)O)NC(=O)C(CC3=CC=CC=C3)N

InChI

InChI=1S/C28H35N3O4/c1-4-6-12-20(3)35-25-18-31(24-16-11-10-15-22(24)25)19-28(5-2,27(33)34)30-26(32)23(29)17-21-13-8-7-9-14-21/h5,7-11,13-16,18,20,23H,2,4,6,12,17,19,29H2,1,3H3,(H,30,32)(H,33,34)