3-[[2-[3-methylbutyl-[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-(2-phenoxyethanoyl)amino]propanoic acid

Systemtic Name: 3-[[2-[3-methylbutyl-[2-[[4-[(2-methylphenyl)carbamoylamino]phenyl]amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl]-(2-phenoxyethanoyl)amino]propanoic acid Openeye Name: 3-[[2-[isopentyl-[2-[4-(o-tolylcarbamoylamino)anilino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-(2-phenoxyacetyl)amino]propanoic acid CAS Name: 3-[[2-[[2-[4-[[(2-methylanilino)-oxomethyl]amino]anilino]-2-oxoethyl]-(3-methylbutyl)amino]-2-oxoethyl]-(1-oxo-2-phenoxyethyl)amino]propanoic acid IUPAC Name: 3-[[2-[3-methylbutyl-[2-[4-[(2-methylphenyl)carbamoylamino]anilino]-2-oxoethyl]amino]-2-oxoethyl]-(2-phenoxyacetyl)amino]propanoic acid Traditional Name: 3-[[2-[isoamyl-[2-keto-2-[4-(o-tolylcarbamoylamino)anilino]ethyl]amino]-2-keto-ethyl]-(2-phenoxyacetyl)amino]propionic acid Formula: C34H41N5O7 MolecularWeight: 631.71864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)O)C(=O)COC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1NC(=O)NC2=CC=C(C=C2)NC(=O)CN(CCC(C)C)C(=O)CN(CCC(=O)O)C(=O)COC3=CC=CC=C3

InChI

InChI=1S/C34H41N5O7/c1-24(2)17-19-38(31(41)22-39(20-18-33(43)44)32(42)23-46-28-10-5-4-6-11-28)21-30(40)35-26-13-15-27(16-14-26)36-34(45)37-29-12-8-7-9-25(29)3/h4-16,24H,17-23H2,1-3H3,(H,35,40)(H,43,44)(H2,36,37,45)