2-(carboxymethyloxy)-5-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-(4-phenylbutylamino)propyl]benzoic acid

Systemtic Name: 2-(carboxymethyloxy)-5-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propanoyl]amino]-3-(4-phenylbutylamino)propyl]benzoic acid Openeye Name: 5-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid CAS Name: 2-(carboxymethyloxy)-5-[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-3-phenylpropyl]amino]-3-(4-phenylbutylamino)propyl]benzoic acid IUPAC Name: 2-(carboxymethyloxy)-5-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropanoyl]amino]-3-(4-phenylbutylamino)propyl]benzoic acid Traditional Name: 5-[2-[[2-(tert-butoxycarbonylamino)-3-phenyl-propanoyl]amino]-3-(4-phenylbutylamino)propyl]-2-(carboxymethyloxy)benzoic acid Formula: C36H45N3O8 MolecularWeight: 647.7578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)CNCCCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CC(=C(C=C2)OCC(=O)O)C(=O)O)CNCCCCC3=CC=CC=C3

InChI

InChI=1S/C36H45N3O8/c1-36(2,3)47-35(45)39-30(22-26-15-8-5-9-16-26)33(42)38-28(23-37-19-11-10-14-25-12-6-4-7-13-25)20-27-17-18-31(46-24-32(40)41)29(21-27)34(43)44/h4-9,12-13,15-18,21,28,30,37H,10-11,14,19-20,22-24H2,1-3H3,(H,38,42)(H,39,45)(H,40,41)(H,43,44)