tert-butyl (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-(4-phenylphenyl)phenyl]hexanoate

Systemtic Name: tert-butyl (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]-6-[4-(4-phenylphenyl)phenyl]hexanoate Openeye Name: tert-butyl (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-(4-phenylphenyl)phenyl]hexanoate CAS Name: (2S,4R)-2-butyl-4-[[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]amino]-oxomethyl]-6-[4-(4-phenylphenyl)phenyl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S,4R)-2-butyl-4-[[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]-6-[4-(4-phenylphenyl)phenyl]hexanoate Traditional Name: (2S,4R)-2-butyl-4-[[(1S)-2,2-dimethyl-1-(methylcarbamoyl)propyl]carbamoyl]-6-[4-(4-phenylphenyl)phenyl]hexanoic acid tert-butyl ester Formula: C40H54N2O4 MolecularWeight: 626.86776

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)NC(C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCCC[C@@H](C[C@@H](CCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=CC=CC=C3)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C40H54N2O4/c1-9-10-14-34(38(45)46-40(5,6)7)27-33(36(43)42-35(37(44)41-8)39(2,3)4)22-19-28-17-20-30(21-18-28)32-25-23-31(24-26-32)29-15-12-11-13-16-29/h11-13,15-18,20-21,23-26,33-35H,9-10,14,19,22,27H2,1-8H3,(H,41,44)(H,42,43)/t33-,34+,35-/m1/s1