3-[[4-[[(4-tert-butylcyclohexyl)-[2-(9H-fluoren-9-yl)ethoxycarbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[2-(9H-fluoren-9-yl)ethoxycarbonylamino]amino]methyl]phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[2-(9H-fluoren-9-yl)ethoxycarbonylamino]amino]methyl]benzoyl]amino]propanoic acid CAS Name: 3-[[[4-[[(4-tert-butylcyclohexyl)-[[2-(9H-fluoren-9-yl)ethoxy-oxomethyl]amino]amino]methyl]phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[2-(9H-fluoren-9-yl)ethoxycarbonylamino]amino]methyl]benzoyl]amino]propanoic acid Traditional Name: 3-[[4-[[(4-tert-butylcyclohexyl)-[2-(9H-fluoren-9-yl)ethoxycarbonylamino]amino]methyl]benzoyl]amino]propionic acid Formula: C37H45N3O5 MolecularWeight: 611.7703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)OCCC3C4=CC=CC=C4C5=CC=CC=C35

Isomeric SMILES

CC(C)(C)C1CCC(CC1)N(CC2=CC=C(C=C2)C(=O)NCCC(=O)O)NC(=O)OCCC3C4=CC=CC=C4C5=CC=CC=C35

InChI

InChI=1S/C37H45N3O5/c1-37(2,3)27-16-18-28(19-17-27)40(24-25-12-14-26(15-13-25)35(43)38-22-20-34(41)42)39-36(44)45-23-21-33-31-10-6-4-8-29(31)30-9-5-7-11-32(30)33/h4-15,27-28,33H,16-24H2,1-3H3,(H,38,43)(H,39,44)(H,41,42)