[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium

C136H190F6N24O8+6 — CID 158722980

IUPAC[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium
SMILESC[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCC1CCCCC1)C(=O)Cc1ccc2ncccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc2ncccc2c1.Cc1ccc(C[n+]2cc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCC[N+](C)(CCN)CCN)cc3ccccc32)cc1.Cc1ccc(C[n+]2cc(CC(=O)[C@H](CCc3ccccc3)NC(=O)[C@@H](N)CCC[N+](C)(CCN)CCN)cc3ccccc32)cc1
InChIInChI=1S/C38H48F3N6O2.C38H51N6O2.C30H39F3N6O2.C30H48N6O2/c1-27-9-11-29(12-10-27)25-46-26-30(22-31-6-3-4-8-35(31)46)24-36(48)34(23-28-13-15-32(16-14-28)38(39,40)41)45-37(49)33(44)7-5-19-47(2,20-17-42)21-18-43;1-29-14-16-31(17-15-29)27-43-28-32(25-33-11-6-7-13-36(33)43)26-37(45)35(19-18-30-9-4-3-5-10-30)42-38(46)34(41)12-8-22-44(2,23-20-39)24-21-40;1-39(16-12-34,17-13-35)15-3-5-25(36)29(41)38-27(19-21-6-9-24(10-7-21)30(31,32)33)28(40)20-22-8-11-26-23(18-22)4-2-14-37-26;1-36(19-15-31,20-16-32)18-6-10-26(33)30(38)35-28(14-11-23-7-3-2-4-8-23)29(37)22-24-12-13-27-25(21-24)9-5-17-34-27/h3-4,6,8-16,22,26,33-34H,5,7,17-21,23-25,42-44H2,1-2H3;3-7,9-11,13-17,25,28,34-35H,8,12,18-24,26-27,39-41H2,1-2H3;2,4,6-11,14,18,25,27H,3,5,12-13,15-17,19-20,34-36H2,1H3;5,9,12-13,17,21,23,26,28H,2-4,6-8,10-11,14-16,18-20,22,31-33H2,1H3/q2*+1;;/p+4/t33-,34+;34-,35-;25-,27-;26-,28-/m0000/s1
InChIKeyIKDNAUZHVVSBBP-DLIZTNMLSA-R
MW2403.16 g/mol
LogP12.23
Rot. Bonds66

About [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium

[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium (PubChem CID 158722980) has the molecular formula C136H190F6N24O8+6 and a molecular weight of 2403.16 g/mol. Its IUPAC name is [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium.

Molecular Properties

Compound Name[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium
PubChem CID158722980
Molecular FormulaC136H190F6N24O8+6
Molecular Weight2403.16 g/mol
Exact Mass2401.51
IUPAC Name[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium
SMILESC[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCC1CCCCC1)C(=O)Cc1ccc2ncccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc2ncccc2c1.Cc1ccc(C[n+]2cc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCC[N+](C)(CCN)CCN)cc3ccccc32)cc1.Cc1ccc(C[n+]2cc(CC(=O)[C@H](CCc3ccccc3)NC(=O)[C@@H](N)CCC[N+](C)(CCN)CCN)cc3ccccc32)cc1
InChIInChI=1S/C38H48F3N6O2.C38H51N6O2.C30H39F3N6O2.C30H48N6O2/c1-27-9-11-29(12-10-27)25-46-26-30(22-31-6-3-4-8-35(31)46)24-36(48)34(23-28-13-15-32(16-14-28)38(39,40)41)45-37(49)33(44)7-5-19-47(2,20-17-42)21-18-43;1-29-14-16-31(17-15-29)27-43-28-32(25-33-11-6-7-13-36(33)43)26-37(45)35(19-18-30-9-4-3-5-10-30)42-38(46)34(41)12-8-22-44(2,23-20-39)24-21-40;1-39(16-12-34,17-13-35)15-3-5-25(36)29(41)38-27(19-21-6-9-24(10-7-21)30(31,32)33)28(40)20-22-8-11-26-23(18-22)4-2-14-37-26;1-36(19-15-31,20-16-32)18-6-10-26(33)30(38)35-28(14-11-23-7-3-2-4-8-23)29(37)22-24-12-13-27-25(21-24)9-5-17-34-27/h3-4,6,8-16,22,26,33-34H,5,7,17-21,23-25,42-44H2,1-2H3;3-7,9-11,13-17,25,28,34-35H,8,12,18-24,26-27,39-41H2,1-2H3;2,4,6-11,14,18,25,27H,3,5,12-13,15-17,19-20,34-36H2,1H3;5,9,12-13,17,21,23,26,28H,2-4,6-8,10-11,14-16,18-20,22,31-33H2,1H3/q2*+1;;/p+4/t33-,34+;34-,35-;25-,27-;26-,28-/m0000/s1
InChIKeyIKDNAUZHVVSBBP-DLIZTNMLSA-R
XLogP12.23
TPSA530.46 Ų
H-Bond Donors16
H-Bond Acceptors22
Rotatable Bonds66
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002403.16
LogP ≤ 512.23
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,6R,9S,12R)-3-[(2S)-butan-2-yl]-9-(6-oxooctyl)-6-(4-piperidin-1-ylquinolin-3-yl)-1,4,7,10-tetrazabicyclo[10.4.0]hexadecane-2,5,8,11-tetrone
CID 56657801
N-(1-Methylpiperidin-4-yl)-4'-(2-oxo-9-(quinolin-3-yl)benzo[h][1,6]naphthyridin-1(2H)-yl)-2'-(trifluoromethyl)-[1,1'-biphenyl]-4-carboxamide
CID 53308041
Cathepsin Inhibitor, Column 4 Row 1
CID 71463531
Cathepsin Inhibitor, Column 4 Row 2
CID 71463532
Cathepsin Inhibitor, Column 5 Row 2
CID 71463535
(2S)-2-[[(2R)-3-(1-acetylindol-3-yl)-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]propanoyl]amino]-N-benzyl-N-methyl-3-phenylpropanamide
CID 10259370
(2S)-2-[[(2R)-3-[1-(7-aminoheptanoyl)indol-3-yl]-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]propanoyl]amino]-N-benzyl-N-methyl-3-phenylpropanamide
CID 10350454
(2S)-N-benzyl-2-[[(2R)-2-[[2-[(4S,7S)-3,6-dioxo-2,5-diazatricyclo[6.2.2.02,7]dodecan-4-yl]acetyl]amino]-3-(1-methylindol-3-yl)propanoyl]amino]-N-methyl-3-phenylpropanamide
CID 10439730
4-[4-[4-[2-(4-Methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxamide
CID 127035909
(2S,4R)-4-fluoro-N-[(S)-(3-fluoro-4-propan-2-ylphenyl)-phenylmethyl]-1-(2-quinolin-6-ylacetyl)pyrrolidine-2-carboxamide
CID 165139101
(2S,4R)-4-fluoro-N-[(S)-phenyl-(4-propan-2-ylphenyl)methyl]-1-(2-quinolin-6-ylacetyl)pyrrolidine-2-carboxamide
CID 165140587
Nte-2
CID 91801117

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?
The IUPAC name of [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium (CID 158722980) is [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium.
What is the SMILES notation for [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?
The canonical SMILES for [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium is C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](CCC1CCCCC1)C(=O)Cc1ccc2ncccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc2ncccc2c1.Cc1ccc(C[n+]2cc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCC[N+](C)(CCN)CCN)cc3ccccc32)cc1.Cc1ccc(C[n+]2cc(CC(=O)[C@H](CCc3ccccc3)NC(=O)[C@@H](N)CCC[N+](C)(CCN)CCN)cc3ccccc32)cc1.
What is the InChIKey of [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?
The InChIKey is IKDNAUZHVVSBBP-DLIZTNMLSA-R. The full InChI is InChI=1S/C38H48F3N6O2.C38H51N6O2.C30H39F3N6O2.C30H48N6O2/c1-27-9-11-29(12-10-27)25-46-26-30(22-31-6-3-4-8-35(31)46)24-36(48)34(23-28-13-15-32(16-14-28)38(39,40)41)45-37(49)33(44)7-5-19-47(2,20-17-42)21-18-43;1-29-14-16-31(17-15-29)27-43-28-32(25-33-11-6-7-13-36(33)43)26-37(45)35(19-18-30-9-4-3-5-10-30)42-38(46)34(41)12-8-22-44(2,23-20-39)24-21-40;1-39(16-12-34,17-13-35)15-3-5-25(36)29(41)38-27(19-21-6-9-24(10-7-21)30(31,32)33)28(40)20-22-8-11-26-23(18-22)4-2-14-37-26;1-36(19-15-31,20-16-32)18-6-10-26(33)30(38)35-28(14-11-23-7-3-2-4-8-23)29(37)22-24-12-13-27-25(21-24)9-5-17-34-27/h3-4,6,8-16,22,26,33-34H,5,7,17-21,23-25,42-44H2,1-2H3;3-7,9-11,13-17,25,28,34-35H,8,12,18-24,26-27,39-41H2,1-2H3;2,4,6-11,14,18,25,27H,3,5,12-13,15-17,19-20,34-36H2,1H3;5,9,12-13,17,21,23,26,28H,2-4,6-8,10-11,14-16,18-20,22,31-33H2,1H3/q2*+1;;/p+4/t33-,34+;34-,35-;25-,27-;26-,28-/m0000/s1.
What are the key properties of [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?
[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium has a molecular weight of 2403.16 g/mol, XLogP of 12.23, 66 rotatable bonds, 16 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-6-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-1-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-2-oxo-5-phenylpentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(2R)-4-[1-[(4-methylphenyl)methyl]quinolin-1-ium-3-yl]-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium is sourced from PubChem (CID 158722980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).