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

Systemtic Name: tert-butyl (2S)-2-[[1-(3-methylbutyl)-4-propan-2-yl-piperidin-2-yl]carbonylamino]-3-(4-phenylmethoxyphenyl)propanoate Openeye Name: tert-butyl (2S)-3-(4-benzyloxyphenyl)-2-[(1-isopentyl-4-isopropyl-piperidine-2-carbonyl)amino]propanoate CAS Name: (2S)-2-[[[1-(3-methylbutyl)-4-propan-2-yl-2-piperidinyl]-oxomethyl]amino]-3-(4-phenylmethoxyphenyl)propanoic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[[1-(3-methylbutyl)-4-propan-2-ylpiperidine-2-carbonyl]amino]-3-(4-phenylmethoxyphenyl)propanoate Traditional Name: (2S)-3-(4-benzoxyphenyl)-2-[(1-isoamyl-4-isopropyl-pipecoloyl)amino]propionic acid tert-butyl ester Formula: C34H50N2O4 MolecularWeight: 550.7718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1CCC(CC1C(=O)NC(CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C(C)C

Isomeric SMILES

CC(C)CCN1CCC(CC1C(=O)N[C@@H](CC2=CC=C(C=C2)OCC3=CC=CC=C3)C(=O)OC(C)(C)C)C(C)C

InChI

InChI=1S/C34H50N2O4/c1-24(2)17-19-36-20-18-28(25(3)4)22-31(36)32(37)35-30(33(38)40-34(5,6)7)21-26-13-15-29(16-14-26)39-23-27-11-9-8-10-12-27/h8-16,24-25,28,30-31H,17-23H2,1-7H3,(H,35,37)/t28?,30-,31?/m0/s1