[(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium

C133H188F6N28O12S+4 — CID 158514692

About [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium

[(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium (PubChem CID 158514692) has the molecular formula C133H188F6N28O12S+4 and a molecular weight of 2517.21 g/mol. Its IUPAC name is [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium.

Molecular Properties

• Compound Name: [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium
• PubChem CID: 158514692
• Molecular Formula: C133H188F6N28O12S+4
• Molecular Weight: 2517.21 g/mol
• Exact Mass: 2515.46
• IUPAC Name: [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium
• SMILES: C[N+](CCN)(CCN)CC(=O)NCCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CC(=O)NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1
• InChI: InChI=1S/C35H49F3N8O3.C34H45F3N6O3S.2C32H45N7O3/c1-46(18-14-39,19-15-40)17-5-8-28(41)33(48)43-16-4-7-29(42)34(49)45-31(21-24-10-12-27(13-11-24)35(36,37)38)32(47)22-25-20-26-6-2-3-9-30(26)44-23-25;1-43(15-12-38,16-13-39)14-4-6-28(40)31(44)20-26(22-47)33(46)42-30(18-23-8-10-27(11-9-23)34(35,36)37)32(45)19-24-17-25-5-2-3-7-29(25)41-21-24;2*1-39(18-15-33,19-16-34)23-31(41)36-17-7-11-27(35)32(42)38-29(14-13-24-8-3-2-4-9-24)30(40)21-25-20-26-10-5-6-12-28(26)37-22-25/h2-3,6,9-13,20,23,28-29,31H,4-5,7-8,14-19,21-22,39-42H2,1H3,(H-,43,45,48,49);2-3,5,7-11,17,21,26,28,30H,4,6,12-16,18-20,22,38-40H2,1H3,(H-,42,46,47);2*2-6,8-10,12,20,22,27,29H,7,11,13-19,21,23,33-35H2,1H3,(H-,36,38,41,42)/p+4/t28-,29-,31-;26-,28+,30+;27-,29+;27-,29-/m0100/s1
• InChIKey: HLMGCTBZUPQYLD-UNSVSCEGSA-R
• XLogP: 6.96
• TPSA: 678.87 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 30
• Rotatable Bonds: 75
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2517.21
LogP ≤ 5	6.96
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium?

The IUPAC name of [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium (CID 158514692) is [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium.

What is the SMILES notation for [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium?

The canonical SMILES for [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium is C[N+](CCN)(CCN)CC(=O)NCCC[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CC(=O)NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)NCCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.

What is the InChIKey of [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium?

The InChIKey is HLMGCTBZUPQYLD-UNSVSCEGSA-R. The full InChI is InChI=1S/C35H49F3N8O3.C34H45F3N6O3S.2C32H45N7O3/c1-46(18-14-39,19-15-40)17-5-8-28(41)33(48)43-16-4-7-29(42)34(49)45-31(21-24-10-12-27(13-11-24)35(36,37)38)32(47)22-25-20-26-6-2-3-9-30(26)44-23-25;1-43(15-12-38,16-13-39)14-4-6-28(40)31(44)20-26(22-47)33(46)42-30(18-23-8-10-27(11-9-23)34(35,36)37)32(45)19-24-17-25-5-2-3-7-29(25)41-21-24;2*1-39(18-15-33,19-16-34)23-31(41)36-17-7-11-27(35)32(42)38-29(14-13-24-8-3-2-4-9-24)30(40)21-25-20-26-10-5-6-12-28(26)37-22-25/h2-3,6,9-13,20,23,28-29,31H,4-5,7-8,14-19,21-22,39-42H2,1H3,(H-,43,45,48,49);2-3,5,7-11,17,21,26,28,30H,4,6,12-16,18-20,22,38-40H2,1H3,(H-,42,46,47);2*2-6,8-10,12,20,22,27,29H,7,11,13-19,21,23,33-35H2,1H3,(H-,36,38,41,42)/p+4/t28-,29-,31-;26-,28+,30+;27-,29+;27-,29-/m0100/s1.

What are the key properties of [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium?

[(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium has a molecular weight of 2517.21 g/mol, XLogP of 6.96, 75 rotatable bonds, 21 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-amino-5-[[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;[(4S,7S)-4-amino-5,8-dioxo-8-[[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-7-(sulfanylmethyl)octyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium;bis(2-aminoethyl)-[2-[[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]amino]-2-oxoethyl]-methylazanium is sourced from PubChem (CID 158514692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).