(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane

C151H182F12N24O12 — CID 158447158

IUPAC(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane
SMILESC.C.CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCN)C(=O)Cc1cnc2ccccc2c1.Cc1ccc2ncc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCCN)cc2c1.Cc1ccc2ncc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCN)cc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2cccnc2c1.NCCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/2C26H29F3N4O2.2C25H27F3N4O2.C25H30N4O2.C22H32N4O2.2CH4/c1-16-4-9-22-19(11-16)12-18(15-32-22)14-24(34)23(33-25(35)21(31)3-2-10-30)13-17-5-7-20(8-6-17)26(27,28)29;27-26(28,29)20-10-7-17(8-11-20)9-12-23(33-25(35)21(31)5-3-13-30)24(34)15-18-14-19-4-1-2-6-22(19)32-16-18;1-15-2-7-21-18(10-15)11-17(14-31-21)13-23(33)22(32-24(34)20(30)8-9-29)12-16-3-5-19(6-4-16)25(26,27)28;26-25(27,28)19-8-5-16(6-9-19)14-22(32-24(34)20(30)4-1-11-29)23(33)15-17-7-10-21-18(13-17)3-2-12-31-21;26-14-4-9-21(27)25(31)29-22(13-11-18-6-2-1-3-7-18)24(30)17-19-10-12-20-8-5-15-28-23(20)16-19;1-15(2)9-10-20(26-22(28)18(24)7-5-11-23)21(27)13-16-12-17-6-3-4-8-19(17)25-14-16;;/h4-9,11-12,15,21,23H,2-3,10,13-14,30-31H2,1H3,(H,33,35);1-2,4,6-8,10-11,14,16,21,23H,3,5,9,12-13,15,30-31H2,(H,33,35);2-7,10-11,14,20,22H,8-9,12-13,29-30H2,1H3,(H,32,34);2-3,5-10,12-13,20,22H,1,4,11,14-15,29-30H2,(H,32,34);1-3,5-8,10,12,15-16,21-22H,4,9,11,13-14,17,26-27H2,(H,29,31);3-4,6,8,12,14-15,18,20H,5,7,9-11,13,23-24H2,1-2H3,(H,26,28);2*1H4/t2*21-,23+;2*20-,22+;21-,22+;18-,20+;;/m000000../s1
InChIKeyHDNKJGZKOIEDID-CWWRXJEVSA-N
MW2753.25 g/mol
LogP19.39
Rot. Bonds62

About (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane

(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane (PubChem CID 158447158) has the molecular formula C151H182F12N24O12 and a molecular weight of 2753.25 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane
PubChem CID158447158
Molecular FormulaC151H182F12N24O12
Molecular Weight2753.25 g/mol
Exact Mass2751.42
IUPAC Name(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane
SMILESC.C.CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCN)C(=O)Cc1cnc2ccccc2c1.Cc1ccc2ncc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCCN)cc2c1.Cc1ccc2ncc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCN)cc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2cccnc2c1.NCCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc2ncccc2c1
InChIInChI=1S/2C26H29F3N4O2.2C25H27F3N4O2.C25H30N4O2.C22H32N4O2.2CH4/c1-16-4-9-22-19(11-16)12-18(15-32-22)14-24(34)23(33-25(35)21(31)3-2-10-30)13-17-5-7-20(8-6-17)26(27,28)29;27-26(28,29)20-10-7-17(8-11-20)9-12-23(33-25(35)21(31)5-3-13-30)24(34)15-18-14-19-4-1-2-6-22(19)32-16-18;1-15-2-7-21-18(10-15)11-17(14-31-21)13-23(33)22(32-24(34)20(30)8-9-29)12-16-3-5-19(6-4-16)25(26,27)28;26-25(27,28)19-8-5-16(6-9-19)14-22(32-24(34)20(30)4-1-11-29)23(33)15-17-7-10-21-18(13-17)3-2-12-31-21;26-14-4-9-21(27)25(31)29-22(13-11-18-6-2-1-3-7-18)24(30)17-19-10-12-20-8-5-15-28-23(20)16-19;1-15(2)9-10-20(26-22(28)18(24)7-5-11-23)21(27)13-16-12-17-6-3-4-8-19(17)25-14-16;;/h4-9,11-12,15,21,23H,2-3,10,13-14,30-31H2,1H3,(H,33,35);1-2,4,6-8,10-11,14,16,21,23H,3,5,9,12-13,15,30-31H2,(H,33,35);2-7,10-11,14,20,22H,8-9,12-13,29-30H2,1H3,(H,32,34);2-3,5-10,12-13,20,22H,1,4,11,14-15,29-30H2,(H,32,34);1-3,5-8,10,12,15-16,21-22H,4,9,11,13-14,17,26-27H2,(H,29,31);3-4,6,8,12,14-15,18,20H,5,7,9-11,13,23-24H2,1-2H3,(H,26,28);2*1H4/t2*21-,23+;2*20-,22+;21-,22+;18-,20+;;/m000000../s1
InChIKeyHDNKJGZKOIEDID-CWWRXJEVSA-N
XLogP19.39
TPSA666.60 Ų
H-Bond Donors18
H-Bond Acceptors30
Rotatable Bonds62
Heavy Atoms199
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002753.25
LogP ≤ 519.39
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1030

Analyze (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane with MolForge

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Related Compounds

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
4-[4-[4-[2-(4-Methylpiperazin-1-yl)acetyl]piperazin-1-yl]-3-(trifluoromethyl)anilino]-6-quinolin-3-ylquinoline-3-carboxamide
CID 127035909
Cathepsin Inhibitor, Column 4 Row 3
CID 71463533
1-[4-(4-Propanoylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-9-quinolin-3-yl-3,4-dihydrobenzo[h][1,6]naphthyridin-2-one
CID 156427463
N-(1-methylpiperidin-4-yl)-1-(4-(3-oxo-9-(quinolin-3-yl)-3,4-dihydropyrazino[2,3-c]quinolin-1(2H)-yl)-2-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 46191629
3-[(4-piperidin-1-ylpiperidin-1-yl)methyl]-6-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]quinoline-4-carboxamide
CID 53464814
(3R)-3-[[(2S)-2-[[2-(2-fluorophenyl)acetyl]amino]-3-methylpentanoyl]amino]-N-[(2S)-3-methyl-1-oxo-1-(quinolin-7-ylmethylamino)pentan-2-yl]-8-(trifluoromethyl)-1,2,4,9-tetrahydrocarbazole-3-carboxamide
CID 57617435
N-(1-methylpiperidin-4-yl)-1-[4-(3-oxo-9-quinolin-3-yl-2,4-dihydro-1H-pyrazino[2,3-c]quinolin-5-yl)-2-(trifluoromethyl)phenyl]piperidine-4-carboxamide
CID 67356301
(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
1-[4-(2,3-dioxo-9-quinolin-3-yl-4H-pyrazino[2,3-c]quinolin-1-yl)-2-(trifluoromethyl)phenyl]-N-(1-methylpiperidin-4-yl)piperidine-4-carboxamide
CID 68150329

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane?
The IUPAC name of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane (CID 158447158) is (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane.
What is the SMILES notation for (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane?
The canonical SMILES for (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane is C.C.CC(C)CC[C@@H](NC(=O)[C@@H](N)CCCN)C(=O)Cc1cnc2ccccc2c1.Cc1ccc2ncc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCCN)cc2c1.Cc1ccc2ncc(CC(=O)[C@@H](Cc3ccc(C(F)(F)F)cc3)NC(=O)[C@@H](N)CCN)cc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccc(C(F)(F)F)cc1)C(=O)Cc1cnc2ccccc2c1.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1ccc2cccnc2c1.NCCC[C@H](N)C(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1ccc2ncccc2c1.
What is the InChIKey of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane?
The InChIKey is HDNKJGZKOIEDID-CWWRXJEVSA-N. The full InChI is InChI=1S/2C26H29F3N4O2.2C25H27F3N4O2.C25H30N4O2.C22H32N4O2.2CH4/c1-16-4-9-22-19(11-16)12-18(15-32-22)14-24(34)23(33-25(35)21(31)3-2-10-30)13-17-5-7-20(8-6-17)26(27,28)29;27-26(28,29)20-10-7-17(8-11-20)9-12-23(33-25(35)21(31)5-3-13-30)24(34)15-18-14-19-4-1-2-6-22(19)32-16-18;1-15-2-7-21-18(10-15)11-17(14-31-21)13-23(33)22(32-24(34)20(30)8-9-29)12-16-3-5-19(6-4-16)25(26,27)28;26-25(27,28)19-8-5-16(6-9-19)14-22(32-24(34)20(30)4-1-11-29)23(33)15-17-7-10-21-18(13-17)3-2-12-31-21;26-14-4-9-21(27)25(31)29-22(13-11-18-6-2-1-3-7-18)24(30)17-19-10-12-20-8-5-15-28-23(20)16-19;1-15(2)9-10-20(26-22(28)18(24)7-5-11-23)21(27)13-16-12-17-6-3-4-8-19(17)25-14-16;;/h4-9,11-12,15,21,23H,2-3,10,13-14,30-31H2,1H3,(H,33,35);1-2,4,6-8,10-11,14,16,21,23H,3,5,9,12-13,15,30-31H2,(H,33,35);2-7,10-11,14,20,22H,8-9,12-13,29-30H2,1H3,(H,32,34);2-3,5-10,12-13,20,22H,1,4,11,14-15,29-30H2,(H,32,34);1-3,5-8,10,12,15-16,21-22H,4,9,11,13-14,17,26-27H2,(H,29,31);3-4,6,8,12,14-15,18,20H,5,7,9-11,13,23-24H2,1-2H3,(H,26,28);2*1H4/t2*21-,23+;2*20-,22+;21-,22+;18-,20+;;/m000000../s1.
What are the key properties of (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane?
(2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane has a molecular weight of 2753.25 g/mol, XLogP of 19.39, 62 rotatable bonds, 18 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[(3R)-6-methyl-2-oxo-1-quinolin-3-ylheptan-3-yl]pentanamide;(2S)-2,4-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]butanamide;(2S)-2,5-diamino-N-[(2R)-4-(6-methylquinolin-3-yl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinolin-7-ylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(2R)-3-oxo-4-quinolin-6-yl-1-[4-(trifluoromethyl)phenyl]butan-2-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-2-oxo-1-quinolin-3-yl-5-[4-(trifluoromethyl)phenyl]pentan-3-yl]pentanamide;methane is sourced from PubChem (CID 158447158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).