azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride

C101H132Cl4F4N14O11 — CID 157304273

About azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride

azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride (PubChem CID 157304273) has the molecular formula C101H132Cl4F4N14O11 and a molecular weight of 1936.06 g/mol. Its IUPAC name is azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride.

Molecular Properties

• Compound Name: azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride
• PubChem CID: 157304273
• Molecular Formula: C101H132Cl4F4N14O11
• Molecular Weight: 1936.06 g/mol
• Exact Mass: 1932.89
• IUPAC Name: azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride
• SMILES: CC(CCC(CN)CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CC(CC[C@H](C)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1)NC(=O)OC(C)(C)C.CC([NH3+])CC[C@H](Cl)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.CC([NH3+])CC[C@H](Cl)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.N.N.O=COc1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.[Cl-].[Cl-]
• InChI: InChI=1S/C27H34FN3O3.2C21H23ClFN3O.C17H34N2O4.C15H10FNO2.2ClH.2H3N/c1-17(6-7-18(2)30-26(33)34-27(3,4)5)16-29-25(32)24-15-21-9-8-20(14-23(21)31-24)19-10-12-22(28)13-11-19;2*1-13(24)2-7-17(22)12-25-21(27)20-11-16-4-3-15(10-19(16)26-20)14-5-8-18(23)9-6-14;1-12(19-15(21)23-17(5,6)7)8-9-13(11-18)10-14(20)22-16(2,3)4;16-13-5-3-10(4-6-13)11-1-2-12-8-15(19-9-18)17-14(12)7-11;;;;/h8-15,17-18,31H,6-7,16H2,1-5H3,(H,29,32)(H,30,33);2*3-6,8-11,13,17,26H,2,7,12,24H2,1H3,(H,25,27);12-13H,8-11,18H2,1-7H3,(H,19,21);1-9,17H;2*1H;2*1H3/t17-,18?;2*13?,17-;;;;;;/m000....../s1
• InChIKey: CDMLBYULCYUJKD-VLWLKYQLSA-N
• XLogP: 14.30
• TPSA: 431.02 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 14
• Rotatable Bonds: 32
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1936.06
LogP ≤ 5	14.30
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride?

The IUPAC name of azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride (CID 157304273) is azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride.

What is the SMILES notation for azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride?

The canonical SMILES for azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride is CC(CCC(CN)CC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C.CC(CC[C@H](C)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1)NC(=O)OC(C)(C)C.CC([NH3+])CC[C@H](Cl)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.CC([NH3+])CC[C@H](Cl)CNC(=O)c1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.N.N.O=COc1cc2ccc(-c3ccc(F)cc3)cc2[nH]1.[Cl-].[Cl-].

What is the InChIKey of azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride?

The InChIKey is CDMLBYULCYUJKD-VLWLKYQLSA-N. The full InChI is InChI=1S/C27H34FN3O3.2C21H23ClFN3O.C17H34N2O4.C15H10FNO2.2ClH.2H3N/c1-17(6-7-18(2)30-26(33)34-27(3,4)5)16-29-25(32)24-15-21-9-8-20(14-23(21)31-24)19-10-12-22(28)13-11-19;2*1-13(24)2-7-17(22)12-25-21(27)20-11-16-4-3-15(10-19(16)26-20)14-5-8-18(23)9-6-14;1-12(19-15(21)23-17(5,6)7)8-9-13(11-18)10-14(20)22-16(2,3)4;16-13-5-3-10(4-6-13)11-1-2-12-8-15(19-9-18)17-14(12)7-11;;;;/h8-15,17-18,31H,6-7,16H2,1-5H3,(H,29,32)(H,30,33);2*3-6,8-11,13,17,26H,2,7,12,24H2,1H3,(H,25,27);12-13H,8-11,18H2,1-7H3,(H,19,21);1-9,17H;2*1H;2*1H3/t17-,18?;2*13?,17-;;;;;;/m000....../s1.

What are the key properties of azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride?

azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride has a molecular weight of 1936.06 g/mol, XLogP of 14.30, 32 rotatable bonds, 14 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for azane;tert-butyl (3R)-3-(aminomethyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]heptanoate;tert-butyl N-[(5S)-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]-5-methylhexan-2-yl]carbamate;bis([(5S)-5-chloro-6-[[6-(4-fluorophenyl)-1H-indole-2-carbonyl]amino]hexan-2-yl]azanium);[6-(4-fluorophenyl)-1H-indol-2-yl] formate;dichloride is sourced from PubChem (CID 157304273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).