tert-butyl (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-7-oxidanyl-octanoate

Systemtic Name: tert-butyl (3R)-3-[[(2S)-1-(methylamino)-1-oxidanylidene-3-phenyl-propan-2-yl]carbamoyl]-7-oxidanyl-octanoate Openeye Name: tert-butyl (3R)-3-[[(1S)-1-benzyl-2-(methylamino)-2-oxo-ethyl]carbamoyl]-7-hydroxy-octanoate CAS Name: (3R)-7-hydroxy-3-[[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]amino]-oxomethyl]octanoic acid tert-butyl ester IUPAC Name: tert-butyl (3R)-7-hydroxy-3-[[(2S)-1-(methylamino)-1-oxo-3-phenylpropan-2-yl]carbamoyl]octanoate Traditional Name: (3R)-3-[[(1S)-1-benzyl-2-keto-2-(methylamino)ethyl]carbamoyl]-7-hydroxy-caprylic acid tert-butyl ester Formula: C23H36N2O5 MolecularWeight: 420.54234

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC(CC(=O)OC(C)(C)C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC)O

Isomeric SMILES

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

InChI

InChI=1S/C23H36N2O5/c1-16(26)10-9-13-18(15-20(27)30-23(2,3)4)21(28)25-19(22(29)24-5)14-17-11-7-6-8-12-17/h6-8,11-12,16,18-19,26H,9-10,13-15H2,1-5H3,(H,24,29)(H,25,28)/t16?,18-,19+/m1/s1