2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-methyl-amino]-3-oxidanylidene-3-phenylazanyl-propanoic acid

Systemtic Name: 2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-methyl-amino]-3-oxidanylidene-3-phenylazanyl-propanoic acid Openeye Name: 3-anilino-2-[methyl-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]-3-oxo-propanoic acid CAS Name: 3-anilino-2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]-2-thiophenyl]methyl-methylamino]-3-oxopropanoic acid IUPAC Name: 3-anilino-2-[[5-[4-[(4-heptan-4-ylphenoxy)methyl]phenyl]thiophen-2-yl]methyl-methylamino]-3-oxopropanoic acid Traditional Name: 3-anilino-3-keto-2-[methyl-[[5-[4-[[4-(1-propylbutyl)phenoxy]methyl]phenyl]-2-thienyl]methyl]amino]propionic acid Formula: C35H40N2O4S MolecularWeight: 584.7681

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(C)C(C(=O)NC4=CC=CC=C4)C(=O)O

Isomeric SMILES

CCCC(CCC)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C3=CC=C(S3)CN(C)C(C(=O)NC4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C35H40N2O4S/c1-4-9-26(10-5-2)27-17-19-30(20-18-27)41-24-25-13-15-28(16-14-25)32-22-21-31(42-32)23-37(3)33(35(39)40)34(38)36-29-11-7-6-8-12-29/h6-8,11-22,26,33H,4-5,9-10,23-24H2,1-3H3,(H,36,38)(H,39,40)