tert-butyl (2S)-2-[[6-methyl-1-(3-methylbutyl)piperidin-2-yl]carbonylamino]-3-(4-phenylmethoxyphenyl)propanoate

Systemtic Name: tert-butyl (2S)-2-[[6-methyl-1-(3-methylbutyl)piperidin-2-yl]carbonylamino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: tert-butyl (2S)-3-(4-benzyloxyphenyl)-2-[(1-isopentyl-6-methyl-piperidine-2-carbonyl)amino]propanoate CAS Name: (2S)-2-[[[6-methyl-1-(3-methylbutyl)-2-piperidinyl]-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[6-methyl-1-(3-methylbutyl)piperidine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[(1-isoamyl-6-methyl-pipecoloyl)amino]propionic acid tert-butyl ester Formula: C32H46N2O4 MolecularWeight: 522.71864

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1CCC(C)C)C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CCCC(N1CCC(C)C)C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C

InChI

InChI=1S/C32H46N2O4/c1-23(2)19-20-34-24(3)11-10-14-29(34)30(35)33-28(31(36)38-32(4,5)6)21-25-15-17-27(18-16-25)37-22-26-12-8-7-9-13-26/h7-9,12-13,15-18,23-24,28-29H,10-11,14,19-22H2,1-6H3,(H,33,35)/t24?,28-,29?/m0/s1