[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium

C127H184F6N26O10S3+4 — CID 158747826

IUPAC[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-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)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](CCc1ccc(CS)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](NC(=O)[C@H](N)CS)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/2C33H44F3N7O3S.C31H44N6O2S.C30H48N6O2/c2*1-43(15-12-37,16-13-38)14-4-7-28(41-31(45)26(39)21-47)32(46)42-29(18-22-8-10-25(11-9-22)33(34,35)36)30(44)19-23-17-24-5-2-3-6-27(24)40-20-23;1-37(17-14-32,18-15-33)16-4-6-27(34)31(39)36-29(13-12-23-8-10-24(22-40)11-9-23)30(38)20-25-19-26-5-2-3-7-28(26)35-21-25;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/h2*2-3,5-6,8-11,17,20,26,28-29H,4,7,12-16,18-19,21,37-39H2,1H3,(H2-,41,42,45,46,47);2-3,5,7-11,19,21,27,29H,4,6,12-18,20,22,32-34H2,1H3,(H-,36,39,40);5-6,10,12,20,22-23,26,28H,2-4,7-9,11,13-19,21,31-33H2,1H3/p+4/t26-,28+,29-;26-,28-,29+;27-,29+;26-,28-/m1000/s1
InChIKeyINCFNYUPNLQHHY-JKDFNQHDSA-R
MW2445.23 g/mol
LogP8.99
Rot. Bonds69

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

[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium (PubChem CID 158747826) has the molecular formula C127H184F6N26O10S3+4 and a molecular weight of 2445.23 g/mol. Its IUPAC name is [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-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-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium
PubChem CID158747826
Molecular FormulaC127H184F6N26O10S3+4
Molecular Weight2445.23 g/mol
Exact Mass2443.37
IUPAC Name[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-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)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](CCc1ccc(CS)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](NC(=O)[C@H](N)CS)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/2C33H44F3N7O3S.C31H44N6O2S.C30H48N6O2/c2*1-43(15-12-37,16-13-38)14-4-7-28(41-31(45)26(39)21-47)32(46)42-29(18-22-8-10-25(11-9-22)33(34,35)36)30(44)19-23-17-24-5-2-3-6-27(24)40-20-23;1-37(17-14-32,18-15-33)16-4-6-27(34)31(39)36-29(13-12-23-8-10-24(22-40)11-9-23)30(38)20-25-19-26-5-2-3-7-28(26)35-21-25;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/h2*2-3,5-6,8-11,17,20,26,28-29H,4,7,12-16,18-19,21,37-39H2,1H3,(H2-,41,42,45,46,47);2-3,5,7-11,19,21,27,29H,4,6,12-18,20,22,32-34H2,1H3,(H-,36,39,40);5-6,10,12,20,22-23,26,28H,2-4,7-9,11,13-19,21,31-33H2,1H3/p+4/t26-,28+,29-;26-,28-,29+;27-,29+;26-,28-/m1000/s1
InChIKeyINCFNYUPNLQHHY-JKDFNQHDSA-R
XLogP8.99
TPSA606.68 Ų
H-Bond Donors21
H-Bond Acceptors29
Rotatable Bonds69
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002445.23
LogP ≤ 58.99
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium with MolForge

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Launch Full Analysis

Related Compounds

(Z)-2-(4-tert-butylphenyl)-N-quinolin-8-yl-3-(trifluoromethylsulfanyl)prop-2-enamide
CID 139050896
bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R,3R)-1-oxo-1-(quinolin-3-ylamino)-3-sulfanyl-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentyl]-methylazanium
CID 25130385
bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentyl]-(3-sulfanylpropyl)azanium
CID 25130390
bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]pentyl]-(2-sulfanylethyl)azanium
CID 25130392
N-[1-[(2R)-2-acetamido-3-phenylpropanoyl]-2-benzylpiperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
CID 53782549
(2R*,4S*)-2-benzyl-1-((S)-N-acetyl-phenylalanyl)N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine
CID 53782550
(2R*,4S*)-2-benzyl-1-((R)-N-acetyl-phenylalanyl)N-(4-quinolylmethyl)-N-trifluoroacetyl-4-piperidinamine
CID 57177232
bis(2-aminoethyl)-[[4-[(1S)-1-amino-2-oxo-2-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl]cyclohexyl]methyl]-methylazanium
CID 68030554
(2S)-2-[[(2S)-2-amino-2-[1,1-bis(2-aminoethyl)piperidin-1-ium-4-yl]acetyl]amino]-N-quinolin-3-yl-3-[4-(trifluoromethyl)phenyl]propanamide
CID 68030606
(2S)-2-amino-5-[3,5-bis(aminomethyl)-1,4,4-trimethylpiperazine-1,4-diium-1-yl]-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 68030891
(2S)-2-amino-5-[3,5-bis(aminomethyl)-1-methylpiperazin-1-ium-1-yl]-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 68030892
N-[1-[(2S)-2-acetamido-3-phenylpropanoyl]-2-benzylpiperidin-4-yl]-2,2,2-trifluoro-N-(quinolin-4-ylmethyl)acetamide
CID 88386955

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-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-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium (CID 158747826) is [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-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-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-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-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-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)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](N)C(=O)N[C@H](CCc1ccc(CS)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.C[N+](CCN)(CCN)CCC[C@H](NC(=O)[C@H](N)CS)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.
What is the InChIKey of [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?
The InChIKey is INCFNYUPNLQHHY-JKDFNQHDSA-R. The full InChI is InChI=1S/2C33H44F3N7O3S.C31H44N6O2S.C30H48N6O2/c2*1-43(15-12-37,16-13-38)14-4-7-28(41-31(45)26(39)21-47)32(46)42-29(18-22-8-10-25(11-9-22)33(34,35)36)30(44)19-23-17-24-5-2-3-6-27(24)40-20-23;1-37(17-14-32,18-15-33)16-4-6-27(34)31(39)36-29(13-12-23-8-10-24(22-40)11-9-23)30(38)20-25-19-26-5-2-3-7-28(26)35-21-25;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/h2*2-3,5-6,8-11,17,20,26,28-29H,4,7,12-16,18-19,21,37-39H2,1H3,(H2-,41,42,45,46,47);2-3,5,7-11,19,21,27,29H,4,6,12-18,20,22,32-34H2,1H3,(H-,36,39,40);5-6,10,12,20,22-23,26,28H,2-4,7-9,11,13-19,21,31-33H2,1H3/p+4/t26-,28+,29-;26-,28-,29+;27-,29+;26-,28-/m1000/s1.
What are the key properties of [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium?
[(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium has a molecular weight of 2445.23 g/mol, XLogP of 8.99, 69 rotatable bonds, 21 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S)-4-amino-5-[[(3S)-5-cyclohexyl-2-oxo-1-quinolin-3-ylpentan-3-yl]amino]-5-oxopentyl]-bis(2-aminoethyl)-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(sulfanylmethyl)phenyl]pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-[[(2S)-2-amino-3-sulfanylpropanoyl]amino]-5-oxo-5-[[(2R)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]amino]pentyl]-methylazanium is sourced from PubChem (CID 158747826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).