tert-butyl N-[(5S)-5-[[(4-methyl-6-phenyl-pyrimidin-2-yl)-phenyl-methyl]amino]-6-oxidanylidene-6-[(phenylmethyl)amino]hexyl]carbamate

Systemtic Name: tert-butyl N-[(5S)-5-[[(4-methyl-6-phenyl-pyrimidin-2-yl)-phenyl-methyl]amino]-6-oxidanylidene-6-[(phenylmethyl)amino]hexyl]carbamate Openeye Name: tert-butyl N-[(5S)-6-(benzylamino)-5-[[(4-methyl-6-phenyl-pyrimidin-2-yl)-phenyl-methyl]amino]-6-oxo-hexyl]carbamate CAS Name: N-[(5S)-5-[[(4-methyl-6-phenyl-2-pyrimidinyl)-phenylmethyl]amino]-6-oxo-6-[(phenylmethyl)amino]hexyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(5S)-6-(benzylamino)-5-[[(4-methyl-6-phenylpyrimidin-2-yl)-phenylmethyl]amino]-6-oxohexyl]carbamate Traditional Name: N-[(5S)-6-(benzylamino)-6-keto-5-[[(4-methyl-6-phenyl-pyrimidin-2-yl)-phenyl-methyl]amino]hexyl]carbamic acid tert-butyl ester Formula: C36H43N5O3 MolecularWeight: 593.75832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)NC(CCCCNC(=O)OC(C)(C)C)C(=O)NCC4=CC=CC=C4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)C(C3=CC=CC=C3)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C36H43N5O3/c1-26-24-31(28-18-10-6-11-19-28)41-33(39-26)32(29-20-12-7-13-21-29)40-30(34(42)38-25-27-16-8-5-9-17-27)22-14-15-23-37-35(43)44-36(2,3)4/h5-13,16-21,24,30,32,40H,14-15,22-23,25H2,1-4H3,(H,37,43)(H,38,42)/t30-,32?/m0/s1