4-acetamido-4-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)-3-methoxy-phenyl]ethanoyl-methyl-amino]phenyl]butanoic acid

Systemtic Name: 4-acetamido-4-[4-[2-[4-(2,3-dihydroindol-1-ylcarbonylamino)-3-methoxy-phenyl]ethanoyl-methyl-amino]phenyl]butanoic acid Openeye Name: 4-acetamido-4-[4-[[2-[4-(indoline-1-carbonylamino)-3-methoxy-phenyl]acetyl]-methyl-amino]phenyl]butanoic acid CAS Name: 4-acetamido-4-[4-[[2-[4-[[2,3-dihydroindol-1-yl(oxo)methyl]amino]-3-methoxyphenyl]-1-oxoethyl]-methylamino]phenyl]butanoic acid IUPAC Name: 4-acetamido-4-[4-[[2-[4-(2,3-dihydroindole-1-carbonylamino)-3-methoxyphenyl]acetyl]-methylamino]phenyl]butanoic acid Traditional Name: 4-acetamido-4-[4-[[2-[4-(indoline-1-carbonylamino)-3-methoxy-phenyl]acetyl]-methyl-amino]phenyl]butyric acid Formula: C31H34N4O6 MolecularWeight: 558.62486

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCC(=O)O)C1=CC=C(C=C1)N(C)C(=O)CC2=CC(=C(C=C2)NC(=O)N3CCC4=CC=CC=C43)OC

Isomeric SMILES

CC(=O)NC(CCC(=O)O)C1=CC=C(C=C1)N(C)C(=O)CC2=CC(=C(C=C2)NC(=O)N3CCC4=CC=CC=C43)OC

InChI

InChI=1S/C31H34N4O6/c1-20(36)32-25(14-15-30(38)39)22-9-11-24(12-10-22)34(2)29(37)19-21-8-13-26(28(18-21)41-3)33-31(40)35-17-16-23-6-4-5-7-27(23)35/h4-13,18,25H,14-17,19H2,1-3H3,(H,32,36)(H,33,40)(H,38,39)