(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide

C201H246F3N29O24S7 — CID 158763164

IUPAC(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.CN(C)C(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2[C@@H]1Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
InChIInChI=1S/C30H35FN4O5S.C30H38N4O3S.C29H35N5O4S.C28H32F2N4O3S.C28H34N4O4S.C28H36N4O3S.C28H36N4O2S/c1-20(36)34-28(9-4-5-16-33-41(39,40)29-10-3-2-8-26(29)31)30(38)35-27-14-11-22-18-23(37)12-13-24(22)25(27)17-21-7-6-15-32-19-21;1-34(2)29(16-8-9-20-32-38(36,37)25-13-4-3-5-14-25)30(35)33-28-18-17-24-12-6-7-15-26(24)27(28)21-23-11-10-19-31-22-23;30-29(36)34-27(14-6-7-18-32-39(37,38)23-11-2-1-3-12-23)28(35)33-26-16-15-22-10-4-5-13-24(22)25(26)19-21-9-8-17-31-20-21;29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30;29-26(10-4-5-16-31-37(35,36)23-8-2-1-3-9-23)28(34)32-27-14-11-21-18-22(33)12-13-24(21)25(27)17-20-7-6-15-30-19-20;29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21;29-24(11-6-7-18-32-35(33,34)25-12-2-1-3-13-25)21-31-28-16-15-23-10-4-5-14-26(23)27(28)19-22-9-8-17-30-20-22/h2-3,6-8,10,12-13,15,18-19,25,27-28,33,37H,4-5,9,11,14,16-17H2,1H3,(H,34,36)(H,35,38);3-7,10-15,19,22,27-29,32H,8-9,16-18,20-21H2,1-2H3,(H,33,35);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36);1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35);1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);1-3,6-7,9-10,12-13,15,18-19,23,27-28,31-33H,4-5,8,11,14,16-17,20,29H2;1-5,8-10,12-14,17,20,24,27-28,31-32H,6-7,11,15-16,18-19,21,29H2/t25?,27?,28-;27-,28?,29?;25?,26?,27-;;;;/m000..../s1
InChIKeyIOXRIHCZNJMVKE-ZQISUEJVSA-N
MW3733.82 g/mol
LogP24.18
Rot. Bonds82

About (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide

(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide (PubChem CID 158763164) has the molecular formula C201H246F3N29O24S7 and a molecular weight of 3733.82 g/mol. Its IUPAC name is (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide.

Molecular Properties

Compound Name(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
PubChem CID158763164
Molecular FormulaC201H246F3N29O24S7
Molecular Weight3733.82 g/mol
Exact Mass3730.69
IUPAC Name(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide
SMILESCC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.CN(C)C(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2[C@@H]1Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1
InChIInChI=1S/C30H35FN4O5S.C30H38N4O3S.C29H35N5O4S.C28H32F2N4O3S.C28H34N4O4S.C28H36N4O3S.C28H36N4O2S/c1-20(36)34-28(9-4-5-16-33-41(39,40)29-10-3-2-8-26(29)31)30(38)35-27-14-11-22-18-23(37)12-13-24(22)25(27)17-21-7-6-15-32-19-21;1-34(2)29(16-8-9-20-32-38(36,37)25-13-4-3-5-14-25)30(35)33-28-18-17-24-12-6-7-15-26(24)27(28)21-23-11-10-19-31-22-23;30-29(36)34-27(14-6-7-18-32-39(37,38)23-11-2-1-3-12-23)28(35)33-26-16-15-22-10-4-5-13-24(22)25(26)19-21-9-8-17-31-20-21;29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30;29-26(10-4-5-16-31-37(35,36)23-8-2-1-3-9-23)28(34)32-27-14-11-21-18-22(33)12-13-24(21)25(27)17-20-7-6-15-30-19-20;29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21;29-24(11-6-7-18-32-35(33,34)25-12-2-1-3-13-25)21-31-28-16-15-23-10-4-5-14-26(23)27(28)19-22-9-8-17-30-20-22/h2-3,6-8,10,12-13,15,18-19,25,27-28,33,37H,4-5,9,11,14,16-17H2,1H3,(H,34,36)(H,35,38);3-7,10-15,19,22,27-29,32H,8-9,16-18,20-21H2,1-2H3,(H,33,35);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36);1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35);1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);1-3,6-7,9-10,12-13,15,18-19,23,27-28,31-33H,4-5,8,11,14,16-17,20,29H2;1-5,8-10,12-14,17,20,24,27-28,31-32H,6-7,11,15-16,18-19,21,29H2/t25?,27?,28-;27-,28?,29?;25?,26?,27-;;;;/m000..../s1
InChIKeyIOXRIHCZNJMVKE-ZQISUEJVSA-N
XLogP24.18
TPSA835.21 Ų
H-Bond Donors24
H-Bond Acceptors38
Rotatable Bonds82
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003733.82
LogP ≤ 524.18
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

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

Analyze (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
The IUPAC name of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide (CID 158763164) is (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide.
What is the SMILES notation for (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
The canonical SMILES for (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide is CC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.CN(C)C(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2[C@@H]1Cc1cccnc1.NC(=O)N[C@@H](CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)C(=O)NC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2cc(O)ccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1)CNC1CCc2ccccc2C1Cc1cccnc1.NC(CCCCNS(=O)(=O)c1ccccc1F)C(=O)NC1CCc2cc(F)ccc2C1Cc1cccnc1.
What is the InChIKey of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
The InChIKey is IOXRIHCZNJMVKE-ZQISUEJVSA-N. The full InChI is InChI=1S/C30H35FN4O5S.C30H38N4O3S.C29H35N5O4S.C28H32F2N4O3S.C28H34N4O4S.C28H36N4O3S.C28H36N4O2S/c1-20(36)34-28(9-4-5-16-33-41(39,40)29-10-3-2-8-26(29)31)30(38)35-27-14-11-22-18-23(37)12-13-24(22)25(27)17-21-7-6-15-32-19-21;1-34(2)29(16-8-9-20-32-38(36,37)25-13-4-3-5-14-25)30(35)33-28-18-17-24-12-6-7-15-26(24)27(28)21-23-11-10-19-31-22-23;30-29(36)34-27(14-6-7-18-32-39(37,38)23-11-2-1-3-12-23)28(35)33-26-16-15-22-10-4-5-13-24(22)25(26)19-21-9-8-17-31-20-21;29-21-11-12-22-20(17-21)10-13-26(23(22)16-19-6-5-14-32-18-19)34-28(35)25(31)8-3-4-15-33-38(36,37)27-9-2-1-7-24(27)30;29-26(10-4-5-16-31-37(35,36)23-8-2-1-3-9-23)28(34)32-27-14-11-21-18-22(33)12-13-24(21)25(27)17-20-7-6-15-30-19-20;29-23(8-4-5-16-32-36(34,35)25-9-2-1-3-10-25)20-31-28-14-11-22-18-24(33)12-13-26(22)27(28)17-21-7-6-15-30-19-21;29-24(11-6-7-18-32-35(33,34)25-12-2-1-3-13-25)21-31-28-16-15-23-10-4-5-14-26(23)27(28)19-22-9-8-17-30-20-22/h2-3,6-8,10,12-13,15,18-19,25,27-28,33,37H,4-5,9,11,14,16-17H2,1H3,(H,34,36)(H,35,38);3-7,10-15,19,22,27-29,32H,8-9,16-18,20-21H2,1-2H3,(H,33,35);1-5,8-13,17,20,25-27,32H,6-7,14-16,18-19H2,(H,33,35)(H3,30,34,36);1-2,5-7,9,11-12,14,17-18,23,25-26,33H,3-4,8,10,13,15-16,31H2,(H,34,35);1-3,6-9,12-13,15,18-19,25-27,31,33H,4-5,10-11,14,16-17,29H2,(H,32,34);1-3,6-7,9-10,12-13,15,18-19,23,27-28,31-33H,4-5,8,11,14,16-17,20,29H2;1-5,8-10,12-14,17,20,24,27-28,31-32H,6-7,11,15-16,18-19,21,29H2/t25?,27?,28-;27-,28?,29?;25?,26?,27-;;;;/m000..../s1.
What are the key properties of (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide?
(2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide has a molecular weight of 3733.82 g/mol, XLogP of 24.18, 82 rotatable bonds, 24 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-acetamido-6-[(2-fluorophenyl)sulfonylamino]-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-(benzenesulfonamido)-N-[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;2-amino-6-[(2-fluorophenyl)sulfonylamino]-N-[6-fluoro-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;N-[5-amino-6-[[6-hydroxy-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;N-[5-amino-6-[[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]amino]hexyl]benzenesulfonamide;(2S)-6-(benzenesulfonamido)-2-(carbamoylamino)-N-[1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide;6-(benzenesulfonamido)-2-(dimethylamino)-N-[(1S)-1-(pyridin-3-ylmethyl)-1,2,3,4-tetrahydronaphthalen-2-yl]hexanamide is sourced from PubChem (CID 158763164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).