tert-butyl 2-[[2-methylpropyl-[(phenylmethyl)carbamoylamino]amino]methyl]-2-oxidanyl-4-phenyl-butanoate

Systemtic Name: tert-butyl 2-[[2-methylpropyl-[(phenylmethyl)carbamoylamino]amino]methyl]-2-oxidanyl-4-phenyl-butanoate Openeye Name: tert-butyl 2-[[(benzylcarbamoylamino)-isobutyl-amino]methyl]-2-hydroxy-4-phenyl-butanoate CAS Name: 2-hydroxy-2-[[2-methylpropyl-[[oxo-[(phenylmethyl)amino]methyl]amino]amino]methyl]-4-phenylbutanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[(benzylcarbamoylamino)-(2-methylpropyl)amino]methyl]-2-hydroxy-4-phenylbutanoate Traditional Name: 2-[[(benzylcarbamoylamino)-isobutyl-amino]methyl]-2-hydroxy-4-phenyl-butyric acid tert-butyl ester Formula: C27H39N3O4 MolecularWeight: 469.61626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN(CC(CCC1=CC=CC=C1)(C(=O)OC(C)(C)C)O)NC(=O)NCC2=CC=CC=C2

Isomeric SMILES

CC(C)CN(CC(CCC1=CC=CC=C1)(C(=O)OC(C)(C)C)O)NC(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C27H39N3O4/c1-21(2)19-30(29-25(32)28-18-23-14-10-7-11-15-23)20-27(33,24(31)34-26(3,4)5)17-16-22-12-8-6-9-13-22/h6-15,21,33H,16-20H2,1-5H3,(H2,28,29,32)