(phenylmethyl) 3-[[1-[(2S)-2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperidin-3-yl]carbonylamino]propanoate

Systemtic Name: (phenylmethyl) 3-[[1-[(2S)-2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperidin-3-yl]carbonylamino]propanoate Openeye Name: benzyl 3-[[1-[(2S)-2-acetamido-6-(tert-butoxycarbonylamino)hexanoyl]piperidine-3-carbonyl]amino]propanoate CAS Name: 3-[[[1-[(2S)-2-acetamido-6-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxohexyl]-3-piperidinyl]-oxomethyl]amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[[1-[(2S)-2-acetamido-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]piperidine-3-carbonyl]amino]propanoate Traditional Name: 3-[[1-[(2S)-2-acetamido-6-(tert-butoxycarbonylamino)hexanoyl]nipecotoyl]amino]propionic acid benzyl ester Formula: C29H44N4O7 MolecularWeight: 560.68226

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C1)C(=O)NCCC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N1CCCC(C1)C(=O)NCCC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C29H44N4O7/c1-21(34)32-24(14-8-9-16-31-28(38)40-29(2,3)4)27(37)33-18-10-13-23(19-33)26(36)30-17-15-25(35)39-20-22-11-6-5-7-12-22/h5-7,11-12,23-24H,8-10,13-20H2,1-4H3,(H,30,36)(H,31,38)(H,32,34)/t23?,24-/m0/s1