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

Systemtic Name: tert-butyl N-[(2S,3S,5S)-6-methyl-3-oxidanyl-1-phenyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)heptan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S,2S,4S)-1-benzyl-2-hydroxy-5-methyl-4-(2-pyrrolidin-1-ylethylcarbamoyl)hexyl]carbamate CAS Name: N-[(2S,3S,5S)-3-hydroxy-6-methyl-5-[oxo-[2-(1-pyrrolidinyl)ethylamino]methyl]-1-phenylheptan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S,3S,5S)-3-hydroxy-6-methyl-1-phenyl-5-(2-pyrrolidin-1-ylethylcarbamoyl)heptan-2-yl]carbamate Traditional Name: N-[(1S,2S,4S)-1-benzyl-2-hydroxy-5-methyl-4-(2-pyrrolidinoethylcarbamoyl)hexyl]carbamic acid tert-butyl ester Formula: C26H43N3O4 MolecularWeight: 461.63732

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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)NCCN2CCCC2

Isomeric SMILES

CC(C)[C@H](C[C@@H]([C@H](CC1=CC=CC=C1)NC(=O)OC(C)(C)C)O)C(=O)NCCN2CCCC2

InChI

InChI=1S/C26H43N3O4/c1-19(2)21(24(31)27-13-16-29-14-9-10-15-29)18-23(30)22(17-20-11-7-6-8-12-20)28-25(32)33-26(3,4)5/h6-8,11-12,19,21-23,30H,9-10,13-18H2,1-5H3,(H,27,31)(H,28,32)/t21-,22-,23-/m0/s1