tert-butyl N-[(2S,3S,5S)-6-methyl-3-oxidanyl-1-phenyl-5-[(phenylmethyl)carbamoyl]heptan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S,3S,5S)-6-methyl-3-oxidanyl-1-phenyl-5-[(phenylmethyl)carbamoyl]heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4S)-1-benzyl-4-(benzylcarbamoyl)-2-hydroxy-5-methyl-hexyl]carbamate CAS Name: N-[(2S,3S,5S)-3-hydroxy-6-methyl-5-[oxo-[(phenylmethyl)amino]methyl]-1-phenylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5S)-5-(benzylcarbamoyl)-3-hydroxy-6-methyl-1-phenylheptan-2-yl]carbamate Traditional Name: N-[(1S,2S,4S)-1-benzyl-4-(benzylcarbamoyl)-2-hydroxy-5-methyl-hexyl]carbamic acid tert-butyl ester Formula: C27H38N2O4 MolecularWeight: 454.60162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(C(CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C27H38N2O4/c1-19(2)22(25(31)28-18-21-14-10-7-11-15-21)17-24(30)23(16-20-12-8-6-9-13-20)29-26(32)33-27(3,4)5/h6-15,19,22-24,30H,16-18H2,1-5H3,(H,28,31)(H,29,32)/t22-,23-,24-/m0/s1