(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide

C116H150F6N24O14 — CID 157079960

IUPAC(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide
SMILESCC(C)[C@@H](C(=O)N(CCN)CCN)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[C@@H](C(=O)N(CCN)CCN)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.NCC(CN)NC(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cccc(C(F)(F)F)c1.NCCN(CCN)C(=O)C[C@H](NC(=O)[C@H](N)CO)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C31H38F3N7O5.C31H42N6O3.C29H38N6O3.C25H32F3N5O3/c32-31(33,34)22-7-5-19(6-8-22)14-25(27(43)15-20-13-21-3-1-2-4-24(21)38-17-20)39-30(46)26(40-29(45)23(37)18-42)16-28(44)41(11-9-35)12-10-36;1-21(2)28(31(40)37(16-14-32)17-15-33)29(34)30(39)36-26(13-12-22-8-4-3-5-9-22)27(38)19-23-18-24-10-6-7-11-25(24)35-20-23;1-20(29(38)35(15-13-30)16-14-31)27(32)28(37)34-25(12-11-21-7-3-2-4-8-21)26(36)18-22-17-23-9-5-6-10-24(23)33-19-22;26-25(27,28)18-8-4-7-17(11-18)12-22(34)21(10-9-16-5-2-1-3-6-16)33-24(36)20(31)13-23(35)32-19(14-29)15-30/h1-8,13,17,23,25-26,42H,9-12,14-16,18,35-37H2,(H,39,46)(H,40,45);3-11,18,20-21,26,28-29H,12-17,19,32-34H2,1-2H3,(H,36,39);2-10,17,19-20,25,27H,11-16,18,30-32H2,1H3,(H,34,37);1-8,11,19-21H,9-10,12-15,29-31H2,(H,32,35)(H,33,36)/t23-,25+,26+;26-,28+,29-;20-,25+,27+;20-,21-/m1010/s1
InChIKeyADKPTPPDGAWVFD-IJZKJBOQSA-N
MW2218.62 g/mol
LogP4.07
Rot. Bonds58

About (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide

(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide (PubChem CID 157079960) has the molecular formula C116H150F6N24O14 and a molecular weight of 2218.62 g/mol. Its IUPAC name is (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide.

Molecular Properties

Compound Name(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide
PubChem CID157079960
Molecular FormulaC116H150F6N24O14
Molecular Weight2218.62 g/mol
Exact Mass2217.17
IUPAC Name(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide
SMILESCC(C)[C@@H](C(=O)N(CCN)CCN)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[C@@H](C(=O)N(CCN)CCN)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.NCC(CN)NC(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cccc(C(F)(F)F)c1.NCCN(CCN)C(=O)C[C@H](NC(=O)[C@H](N)CO)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1
InChIInChI=1S/C31H38F3N7O5.C31H42N6O3.C29H38N6O3.C25H32F3N5O3/c32-31(33,34)22-7-5-19(6-8-22)14-25(27(43)15-20-13-21-3-1-2-4-24(21)38-17-20)39-30(46)26(40-29(45)23(37)18-42)16-28(44)41(11-9-35)12-10-36;1-21(2)28(31(40)37(16-14-32)17-15-33)29(34)30(39)36-26(13-12-22-8-4-3-5-9-22)27(38)19-23-18-24-10-6-7-11-25(24)35-20-23;1-20(29(38)35(15-13-30)16-14-31)27(32)28(37)34-25(12-11-21-7-3-2-4-8-21)26(36)18-22-17-23-9-5-6-10-24(23)33-19-22;26-25(27,28)18-8-4-7-17(11-18)12-22(34)21(10-9-16-5-2-1-3-6-16)33-24(36)20(31)13-23(35)32-19(14-29)15-30/h1-8,13,17,23,25-26,42H,9-12,14-16,18,35-37H2,(H,39,46)(H,40,45);3-11,18,20-21,26,28-29H,12-17,19,32-34H2,1-2H3,(H,36,39);2-10,17,19-20,25,27H,11-16,18,30-32H2,1H3,(H,34,37);1-8,11,19-21H,9-10,12-15,29-31H2,(H,32,35)(H,33,36)/t23-,25+,26+;26-,28+,29-;20-,25+,27+;20-,21-/m1010/s1
InChIKeyADKPTPPDGAWVFD-IJZKJBOQSA-N
XLogP4.07
TPSA674.95 Ų
H-Bond Donors19
H-Bond Acceptors29
Rotatable Bonds58
Heavy Atoms160
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002218.62
LogP ≤ 54.07
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1029

Analyze (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide with MolForge

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Related Compounds

N-[(2S)-1-[(2R,4S)-2-benzyl-4-[quinolin-4-ylmethyl-(2,2,2-trifluoroacetyl)amino]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-formamidobutanamide
CID 54108117
N-[(2R)-1-[(2R,4S)-2-benzyl-4-[quinolin-4-ylmethyl-(2,2,2-trifluoroacetyl)amino]piperidin-1-yl]-1-oxo-3-phenylpropan-2-yl]-4-formamidobutanamide
CID 57059785
(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]butanediamide
CID 59366752
tert-butyl N-[(2R)-1-[[(2S)-4-[bis[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]-1,4-dioxo-1-[[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]butan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
CID 59366975
2-[2-azaniumylethyl-[(3S)-3-[[(2R)-2-azaniumyl-3-hydroxypropanoyl]amino]-4-oxo-4-[[(2S)-1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]butanoyl]amino]ethylazanium
CID 59367114
(2S)-N',N'-bis(2-aminoethyl)-2-(3-hydroxypropanoylamino)-N-[(2S)-1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]butanediamide
CID 70890715
N',N'-bis(2-aminoethyl)-2-[(2-amino-3-hydroxypropanoyl)amino]-N-[1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]butanediamide
CID 72271842
N',N'-bis(2-aminoethyl)-2-(3-hydroxypropanoylamino)-N-[1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]butanediamide
CID 77946978
N'-(2-aminoethyl)-2-[(2-amino-3-hydroxypropanoyl)amino]-N-[1-oxo-1-(quinolin-1-ium-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]-N'-propylbutanediamide
CID 90804848
2-[(2-amino-3-hydroxypropanoyl)amino]-5-[bis(2-aminoethyl)amino]-4-oxo-N-[1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]pentanamide
CID 90955939
tert-butyl N-[2-[[3-(3-hydroxypropanoylamino)-4-oxo-4-[[1-oxo-1-(quinolin-3-ylamino)-3-[4-(trifluoromethyl)phenyl]propan-2-yl]amino]butanoyl]-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]amino]ethyl]carbamate
CID 91087717
2-amino-N',N'-bis(2-aminoethyl)-N-[1-(hydroxymethylimino)-3-oxo-3-(quinolin-3-ylamino)-1-[4-(trifluoromethyl)phenyl]propan-2-yl]butanediamide
CID 91441174

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide?
The IUPAC name of (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide (CID 157079960) is (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide.
What is the SMILES notation for (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide?
The canonical SMILES for (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide is CC(C)[C@@H](C(=O)N(CCN)CCN)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.C[C@@H](C(=O)N(CCN)CCN)[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cnc2ccccc2c1.NCC(CN)NC(=O)C[C@H](N)C(=O)N[C@@H](CCc1ccccc1)C(=O)Cc1cccc(C(F)(F)F)c1.NCCN(CCN)C(=O)C[C@H](NC(=O)[C@H](N)CO)C(=O)N[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.
What is the InChIKey of (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide?
The InChIKey is ADKPTPPDGAWVFD-IJZKJBOQSA-N. The full InChI is InChI=1S/C31H38F3N7O5.C31H42N6O3.C29H38N6O3.C25H32F3N5O3/c32-31(33,34)22-7-5-19(6-8-22)14-25(27(43)15-20-13-21-3-1-2-4-24(21)38-17-20)39-30(46)26(40-29(45)23(37)18-42)16-28(44)41(11-9-35)12-10-36;1-21(2)28(31(40)37(16-14-32)17-15-33)29(34)30(39)36-26(13-12-22-8-4-3-5-9-22)27(38)19-23-18-24-10-6-7-11-25(24)35-20-23;1-20(29(38)35(15-13-30)16-14-31)27(32)28(37)34-25(12-11-21-7-3-2-4-8-21)26(36)18-22-17-23-9-5-6-10-24(23)33-19-22;26-25(27,28)18-8-4-7-17(11-18)12-22(34)21(10-9-16-5-2-1-3-6-16)33-24(36)20(31)13-23(35)32-19(14-29)15-30/h1-8,13,17,23,25-26,42H,9-12,14-16,18,35-37H2,(H,39,46)(H,40,45);3-11,18,20-21,26,28-29H,12-17,19,32-34H2,1-2H3,(H,36,39);2-10,17,19-20,25,27H,11-16,18,30-32H2,1H3,(H,34,37);1-8,11,19-21H,9-10,12-15,29-31H2,(H,32,35)(H,33,36)/t23-,25+,26+;26-,28+,29-;20-,25+,27+;20-,21-/m1010/s1.
What are the key properties of (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide?
(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide has a molecular weight of 2218.62 g/mol, XLogP of 4.07, 58 rotatable bonds, 19 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-amino-N,N-bis(2-aminoethyl)-2-methyl-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide;(2R,3S)-3-amino-N,N-bis(2-aminoethyl)-N'-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]-2-propan-2-ylbutanediamide;(2S)-2-amino-N'-(1,3-diaminopropan-2-yl)-N-[(3S)-2-oxo-5-phenyl-1-[3-(trifluoromethyl)phenyl]pentan-3-yl]butanediamide;(2S)-N',N'-bis(2-aminoethyl)-2-[[(2R)-2-amino-3-hydroxypropanoyl]amino]-N-[(2S)-3-oxo-4-quinolin-3-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanediamide is sourced from PubChem (CID 157079960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).