benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid

C108H155N19O21 — CID 158823054

About benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid

benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid (PubChem CID 158823054) has the molecular formula C108H155N19O21 and a molecular weight of 2055.54 g/mol. Its IUPAC name is benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid.

Molecular Properties

• Compound Name: benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
• PubChem CID: 158823054
• Molecular Formula: C108H155N19O21
• Molecular Weight: 2055.54 g/mol
• Exact Mass: 2054.16
• IUPAC Name: benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid
• SMILES: CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)NCc1ccccn1.CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)NCc1ccccn1.CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccn1.CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.CNCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccn1.O=C1CCCc2cccnc21
• InChI: InChI=1S/C25H34N4O5.C21H28N4O3.C19H28N2O6.2C17H28N4O3.C9H9NO/c1-25(2,3)34-23(31)27-16-10-8-14-21(22(30)28-17-20-13-7-9-15-26-20)29-24(32)33-18-19-11-5-4-6-12-19;1-22-13-7-6-12-19(20(26)24-15-18-11-5-8-14-23-18)25-21(27)28-16-17-9-3-2-4-10-17;1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;2*1-17(2,3)24-16(23)20-11-7-5-9-14(18)15(22)21-12-13-8-4-6-10-19-13;11-8-5-1-3-7-4-2-6-10-9(7)8/h4-7,9,11-13,15,21H,8,10,14,16-18H2,1-3H3,(H,27,31)(H,28,30)(H,29,32);2-5,8-11,14,19,22H,6-7,12-13,15-16H2,1H3,(H,24,26)(H,25,27);4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);2*4,6,8,10,14H,5,7,9,11-12,18H2,1-3H3,(H,20,23)(H,21,22);2,4,6H,1,3,5H2/t21-;19-;15-;2*14-;/m00000./s1
• InChIKey: IWCODHRXVXKWBV-LQQMTRLLSA-N
• XLogP: 14.17
• TPSA: 567.60 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 28
• Rotatable Bonds: 47
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2055.54
LogP ≤ 5	14.17
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid?

The IUPAC name of benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid (CID 158823054) is benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid.

What is the SMILES notation for benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid?

The canonical SMILES for benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid is CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)NCc1ccccn1.CC(C)(C)OC(=O)NCCCC[C@H](N)C(=O)NCc1ccccn1.CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccn1.CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O.CNCCCC[C@H](NC(=O)OCc1ccccc1)C(=O)NCc1ccccn1.O=C1CCCc2cccnc21.

What is the InChIKey of benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid?

The InChIKey is IWCODHRXVXKWBV-LQQMTRLLSA-N. The full InChI is InChI=1S/C25H34N4O5.C21H28N4O3.C19H28N2O6.2C17H28N4O3.C9H9NO/c1-25(2,3)34-23(31)27-16-10-8-14-21(22(30)28-17-20-13-7-9-15-26-20)29-24(32)33-18-19-11-5-4-6-12-19;1-22-13-7-6-12-19(20(26)24-15-18-11-5-8-14-23-18)25-21(27)28-16-17-9-3-2-4-10-17;1-19(2,3)27-17(24)20-12-8-7-11-15(16(22)23)21-18(25)26-13-14-9-5-4-6-10-14;2*1-17(2,3)24-16(23)20-11-7-5-9-14(18)15(22)21-12-13-8-4-6-10-19-13;11-8-5-1-3-7-4-2-6-10-9(7)8/h4-7,9,11-13,15,21H,8,10,14,16-18H2,1-3H3,(H,27,31)(H,28,30)(H,29,32);2-5,8-11,14,19,22H,6-7,12-13,15-16H2,1H3,(H,24,26)(H,25,27);4-6,9-10,15H,7-8,11-13H2,1-3H3,(H,20,24)(H,21,25)(H,22,23);2*4,6,8,10,14H,5,7,9,11-12,18H2,1-3H3,(H,20,23)(H,21,22);2,4,6H,1,3,5H2/t21-;19-;15-;2*14-;/m00000./s1.

What are the key properties of benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid?

benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid has a molecular weight of 2055.54 g/mol, XLogP of 14.17, 47 rotatable bonds, 15 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[(2S)-6-(methylamino)-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;benzyl N-[(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxo-1-(pyridin-2-ylmethylamino)hexan-2-yl]carbamate;bis(tert-butyl N-[(5S)-5-amino-6-oxo-6-(pyridin-2-ylmethylamino)hexyl]carbamate);6,7-dihydro-5H-quinolin-8-one;(2S)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-(phenylmethoxycarbonylamino)hexanoic acid is sourced from PubChem (CID 158823054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).