(2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane

C141H186Cl2F6N20O14 — CID 159671341

IUPAC(2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane
SMILESC.C.C.Cc1c(F)cc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)cc1F.Cc1ccc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)c(F)c1F.Cc1cnc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)c(Cl)c1.Cn1c(=O)c(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)cc2ccccc21.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cc(Cl)ccc1F.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cc(F)ccc1O
InChIInChI=1S/C26H32N4O3.2C23H29F2N3O2.C22H27ClFN3O2.C22H29ClN4O2.C22H28FN3O3.3CH4/c1-30-23-12-6-5-10-19(23)16-20(26(30)33)17-24(31)22(14-13-18-8-3-2-4-9-18)29-25(32)21(28)11-7-15-27;1-15-9-11-17(22(25)21(15)24)14-20(29)19(12-10-16-6-3-2-4-7-16)28-23(30)18(27)8-5-13-26;1-15-18(24)12-17(13-19(15)25)14-22(29)21(10-9-16-6-3-2-4-7-16)28-23(30)20(27)8-5-11-26;23-17-9-10-18(24)16(13-17)14-21(28)20(11-8-15-5-2-1-3-6-15)27-22(29)19(26)7-4-12-25;1-15-12-17(23)20(26-14-15)13-21(28)19(10-9-16-6-3-2-4-7-16)27-22(29)18(25)8-5-11-24;23-17-9-11-20(27)16(13-17)14-21(28)19(10-8-15-5-2-1-3-6-15)26-22(29)18(25)7-4-12-24;;;/h2-6,8-10,12,16,21-22H,7,11,13-15,17,27-28H2,1H3,(H,29,32);2-4,6-7,9,11,18-19H,5,8,10,12-14,26-27H2,1H3,(H,28,30);2-4,6-7,12-13,20-21H,5,8-11,14,26-27H2,1H3,(H,28,30);1-3,5-6,9-10,13,19-20H,4,7-8,11-12,14,25-26H2,(H,27,29);2-4,6-7,12,14,18-19H,5,8-11,13,24-25H2,1H3,(H,27,29);1-3,5-6,9,11,13,18-19,27H,4,7-8,10,12,14,24-25H2,(H,26,29);3*1H4/t21-,22+;18-,19+;20-,21+;19-,20+;2*18-,19+;;;/m000000.../s1
InChIKeyMUANSIORLRHREV-PRHPWOFGSA-N
MW2570.06 g/mol
LogP15.82
Rot. Bonds66

About (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane

(2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane (PubChem CID 159671341) has the molecular formula C141H186Cl2F6N20O14 and a molecular weight of 2570.06 g/mol. Its IUPAC name is (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane.

Molecular Properties

Compound Name(2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane
PubChem CID159671341
Molecular FormulaC141H186Cl2F6N20O14
Molecular Weight2570.06 g/mol
Exact Mass2567.37
IUPAC Name(2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane
SMILESC.C.C.Cc1c(F)cc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)cc1F.Cc1ccc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)c(F)c1F.Cc1cnc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)c(Cl)c1.Cn1c(=O)c(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)cc2ccccc21.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cc(Cl)ccc1F.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cc(F)ccc1O
InChIInChI=1S/C26H32N4O3.2C23H29F2N3O2.C22H27ClFN3O2.C22H29ClN4O2.C22H28FN3O3.3CH4/c1-30-23-12-6-5-10-19(23)16-20(26(30)33)17-24(31)22(14-13-18-8-3-2-4-9-18)29-25(32)21(28)11-7-15-27;1-15-9-11-17(22(25)21(15)24)14-20(29)19(12-10-16-6-3-2-4-7-16)28-23(30)18(27)8-5-13-26;1-15-18(24)12-17(13-19(15)25)14-22(29)21(10-9-16-6-3-2-4-7-16)28-23(30)20(27)8-5-11-26;23-17-9-10-18(24)16(13-17)14-21(28)20(11-8-15-5-2-1-3-6-15)27-22(29)19(26)7-4-12-25;1-15-12-17(23)20(26-14-15)13-21(28)19(10-9-16-6-3-2-4-7-16)27-22(29)18(25)8-5-11-24;23-17-9-11-20(27)16(13-17)14-21(28)19(10-8-15-5-2-1-3-6-15)26-22(29)18(25)7-4-12-24;;;/h2-6,8-10,12,16,21-22H,7,11,13-15,17,27-28H2,1H3,(H,29,32);2-4,6-7,9,11,18-19H,5,8,10,12-14,26-27H2,1H3,(H,28,30);2-4,6-7,12-13,20-21H,5,8-11,14,26-27H2,1H3,(H,28,30);1-3,5-6,9-10,13,19-20H,4,7-8,11-12,14,25-26H2,(H,27,29);2-4,6-7,12,14,18-19H,5,8-11,13,24-25H2,1H3,(H,27,29);1-3,5-6,9,11,13,18-19,27H,4,7-8,10,12,14,24-25H2,(H,26,29);3*1H4/t21-,22+;18-,19+;20-,21+;19-,20+;2*18-,19+;;;/m000000.../s1
InChIKeyMUANSIORLRHREV-PRHPWOFGSA-N
XLogP15.82
TPSA644.38 Ų
H-Bond Donors19
H-Bond Acceptors28
Rotatable Bonds66
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002570.06
LogP ≤ 515.82
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1028

Analyze (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane with MolForge

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Related Compounds

(2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide
CID 123235214
(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxy-3-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(6-methylquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide
CID 123506385
(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide
CID 123654597
(2S)-2,5-diamino-N-[(2S)-4-(4-fluorophenyl)-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]pentanamide
CID 66963186
(2S)-2,5-diamino-N-[(2R)-4-(3-fluorophenyl)-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]pentanamide
CID 24969499
(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-1-(2,6-dichloro-4-pyridinyl)-2-oxo-5-phenylpentan-3-yl]butanediamide
CID 159382363
[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-bis(1,3-diaminopropan-2-yl)-methylazanium
CID 159239820
(2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide
CID 11697755
(2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-4-phenylbutanoic acid;methanesulfonic acid;quinoline-3-carboxamide
CID 87216988
2-aminoethyl-[(5S)-5-amino-4-oxohexyl]-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-[[(3S)-5-naphthalen-2-yl-2-oxo-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]-5-oxopentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(3S)-2-oxo-5-phenyl-1-(2,3,4-trifluorophenyl)pentan-3-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2R)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;bis(2-aminoethyl)-[(4S)-4-amino-5-oxo-5-[[(2S)-3-oxo-1-[4-(trifluoromethyl)phenyl]-4-(2,3,4-trifluorophenyl)butan-2-yl]amino]pentyl]-methylazanium;carbon dioxide
CID 158726167
(2S)-2-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-2-oxo-5-phenyl-1-quinolin-3-ylpentan-3-yl]butanediamide
CID 157122766
(2S)-2,8-diamino-6-(2-aminoethyl)-N-[(2R)-4-(5-chloro-2-hydroxyphenyl)-3-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]-5-oxooctanamide
CID 161047683

Frequently Asked Questions

What is the IUPAC name of (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane?
The IUPAC name of (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane (CID 159671341) is (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane.
What is the SMILES notation for (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane?
The canonical SMILES for (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane is C.C.C.Cc1c(F)cc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)cc1F.Cc1ccc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)c(F)c1F.Cc1cnc(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)c(Cl)c1.Cn1c(=O)c(CC(=O)[C@@H](CCc2ccccc2)NC(=O)[C@@H](N)CCCN)cc2ccccc21.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cc(Cl)ccc1F.NCCC[C@H](N)C(=O)N[C@H](CCc1ccccc1)C(=O)Cc1cc(F)ccc1O.
What is the InChIKey of (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane?
The InChIKey is MUANSIORLRHREV-PRHPWOFGSA-N. The full InChI is InChI=1S/C26H32N4O3.2C23H29F2N3O2.C22H27ClFN3O2.C22H29ClN4O2.C22H28FN3O3.3CH4/c1-30-23-12-6-5-10-19(23)16-20(26(30)33)17-24(31)22(14-13-18-8-3-2-4-9-18)29-25(32)21(28)11-7-15-27;1-15-9-11-17(22(25)21(15)24)14-20(29)19(12-10-16-6-3-2-4-7-16)28-23(30)18(27)8-5-13-26;1-15-18(24)12-17(13-19(15)25)14-22(29)21(10-9-16-6-3-2-4-7-16)28-23(30)20(27)8-5-11-26;23-17-9-10-18(24)16(13-17)14-21(28)20(11-8-15-5-2-1-3-6-15)27-22(29)19(26)7-4-12-25;1-15-12-17(23)20(26-14-15)13-21(28)19(10-9-16-6-3-2-4-7-16)27-22(29)18(25)8-5-11-24;23-17-9-11-20(27)16(13-17)14-21(28)19(10-8-15-5-2-1-3-6-15)26-22(29)18(25)7-4-12-24;;;/h2-6,8-10,12,16,21-22H,7,11,13-15,17,27-28H2,1H3,(H,29,32);2-4,6-7,9,11,18-19H,5,8,10,12-14,26-27H2,1H3,(H,28,30);2-4,6-7,12-13,20-21H,5,8-11,14,26-27H2,1H3,(H,28,30);1-3,5-6,9-10,13,19-20H,4,7-8,11-12,14,25-26H2,(H,27,29);2-4,6-7,12,14,18-19H,5,8-11,13,24-25H2,1H3,(H,27,29);1-3,5-6,9,11,13,18-19,27H,4,7-8,10,12,14,24-25H2,(H,26,29);3*1H4/t21-,22+;18-,19+;20-,21+;19-,20+;2*18-,19+;;;/m000000.../s1.
What are the key properties of (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane?
(2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane has a molecular weight of 2570.06 g/mol, XLogP of 15.82, 66 rotatable bonds, 19 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2,5-diamino-N-[(3R)-1-(5-chloro-2-fluorophenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3-chloro-5-methyl-2-pyridinyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(2,3-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(3,5-difluoro-4-methylphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(5-fluoro-2-hydroxyphenyl)-2-oxo-5-phenylpentan-3-yl]pentanamide;(2S)-2,5-diamino-N-[(3R)-1-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide;methane is sourced from PubChem (CID 159671341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).