[(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium

C148H211F6N30O11S+5 — CID 159771661

About [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium

[(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium (PubChem CID 159771661) has the molecular formula C148H211F6N30O11S+5 and a molecular weight of 2732.57 g/mol. Its IUPAC name is [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium.

Molecular Properties

• Compound Name: [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium
• PubChem CID: 159771661
• Molecular Formula: C148H211F6N30O11S+5
• Molecular Weight: 2732.57 g/mol
• Exact Mass: 2730.65
• IUPAC Name: [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium
• SMILES: C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CC1CCCCC1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](Cc1ccc(CS)cc1)C(=O)Cc1cnc2ccccc2c1
• InChI: InChI=1S/C30H39F3N6O3.C30H42N6O2S.C30H42N6O2.C29H37F3N6O2.C29H46N6O2/c1-39(15-12-34,16-13-35)14-4-6-25(36)29(41)38-27(18-21-8-10-24(11-9-21)42-30(31,32)33)28(40)19-22-17-23-5-2-3-7-26(23)37-20-22;1-36(15-12-31,16-13-32)14-4-6-26(33)30(38)35-28(18-22-8-10-23(21-39)11-9-22)29(37)19-24-17-25-5-2-3-7-27(25)34-20-24;1-36(18-15-31,19-16-32)17-7-11-26(33)30(38)35-28(14-13-23-8-3-2-4-9-23)29(37)21-24-20-25-10-5-6-12-27(25)34-22-24;1-38(11-8-33,12-9-34)10-4-6-24(35)29(40)37-26(16-19-14-22(30)28(32)23(31)15-19)27(39)17-20-13-21-5-2-3-7-25(21)36-18-20;1-35(16-13-30,17-14-31)15-7-11-25(32)29(37)34-27(19-22-8-3-2-4-9-22)28(36)20-23-18-24-10-5-6-12-26(24)33-21-23/h2-3,5,7-11,17,20,25,27H,4,6,12-16,18-19,34-36H2,1H3;2-3,5,7-11,17,20,26,28H,4,6,12-16,18-19,21,31-33H2,1H3,(H-,35,38,39);2-6,8-10,12,20,22,26,28H,7,11,13-19,21,31-33H2,1H3;2-3,5,7,13-15,18,24,26H,4,6,8-12,16-17,33-35H2,1H3;5-6,10,12,18,21-22,25,27H,2-4,7-9,11,13-17,19-20,30-32H2,1H3/p+5/t25-,27-;2*26-,28+;24-,26-;25-,27-/m00000/s1
• InChIKey: NGENNXXILOIARA-QGETWJNJSA-S
• XLogP: 10.59
• TPSA: 694.83 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 32
• Rotatable Bonds: 78
• Heavy Atoms: 196
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2732.57
LogP ≤ 5	10.59
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium?

The IUPAC name of [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium (CID 159771661) is [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium.

What is the SMILES notation for [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium?

The canonical SMILES for [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium is C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CC1CCCCC1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(OC(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](Cc1ccc(CS)cc1)C(=O)Cc1cnc2ccccc2c1.

What is the InChIKey of [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium?

The InChIKey is NGENNXXILOIARA-QGETWJNJSA-S. The full InChI is InChI=1S/C30H39F3N6O3.C30H42N6O2S.C30H42N6O2.C29H37F3N6O2.C29H46N6O2/c1-39(15-12-34,16-13-35)14-4-6-25(36)29(41)38-27(18-21-8-10-24(11-9-21)42-30(31,32)33)28(40)19-22-17-23-5-2-3-7-26(23)37-20-22;1-36(15-12-31,16-13-32)14-4-6-26(33)30(38)35-28(18-22-8-10-23(21-39)11-9-22)29(37)19-24-17-25-5-2-3-7-27(25)34-20-24;1-36(18-15-31,19-16-32)17-7-11-26(33)30(38)35-28(14-13-23-8-3-2-4-9-23)29(37)21-24-20-25-10-5-6-12-27(25)34-22-24;1-38(11-8-33,12-9-34)10-4-6-24(35)29(40)37-26(16-19-14-22(30)28(32)23(31)15-19)27(39)17-20-13-21-5-2-3-7-25(21)36-18-20;1-35(16-13-30,17-14-31)15-7-11-25(32)29(37)34-27(19-22-8-3-2-4-9-22)28(36)20-23-18-24-10-5-6-12-26(24)33-21-23/h2-3,5,7-11,17,20,25,27H,4,6,12-16,18-19,34-36H2,1H3;2-3,5,7-11,17,20,26,28H,4,6,12-16,18-19,21,31-33H2,1H3,(H-,35,38,39);2-6,8-10,12,20,22,26,28H,7,11,13-19,21,31-33H2,1H3;2-3,5,7,13-15,18,24,26H,4,6,8-12,16-17,33-35H2,1H3;5-6,10,12,18,21-22,25,27H,2-4,7-9,11,13-17,19-20,30-32H2,1H3/p+5/t25-,27-;2*26-,28+;24-,26-;25-,27-/m00000/s1.

What are the key properties of [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium?

[(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium has a molecular weight of 2732.57 g/mol, XLogP of 10.59, 78 rotatable bonds, 21 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-amino-5-[[(2S)-1-cyclohexyl-3-oxo-4-quinolin-3-ylbutan-2-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(sulfanylmethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethoxy)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-(3,4,5-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium is sourced from PubChem (CID 159771661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).