(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

C48H59ClFN7O5 — CID 123235214

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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide
SMILESCn1c(=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
InChIInChI=1S/C26H32N4O3.C22H27ClFN3O2/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;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/h2-6,8-10,12,16,21-22H,7,11,13-15,17,27-28H2,1H3,(H,29,32);1-3,5-6,9-10,13,19-20H,4,7-8,11-12,14,25-26H2,(H,27,29)/t21-,22+;19-,20+/m00/s1
InChIKeyDTYJGFFWKTYCGK-AMYRVYNVSA-N
MW868.50 g/mol
LogP4.61
Rot. Bonds22

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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide

(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 (PubChem CID 123235214) has the molecular formula C48H59ClFN7O5 and a molecular weight of 868.50 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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide.

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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide
PubChem CID123235214
Molecular FormulaC48H59ClFN7O5
Molecular Weight868.50 g/mol
Exact Mass867.43
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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide
SMILESCn1c(=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
InChIInChI=1S/C26H32N4O3.C22H27ClFN3O2/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;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/h2-6,8-10,12,16,21-22H,7,11,13-15,17,27-28H2,1H3,(H,29,32);1-3,5-6,9-10,13,19-20H,4,7-8,11-12,14,25-26H2,(H,27,29)/t21-,22+;19-,20+/m00/s1
InChIKeyDTYJGFFWKTYCGK-AMYRVYNVSA-N
XLogP4.61
TPSA218.42 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds22
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500868.50
LogP ≤ 54.61
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide 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-(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
(2S)-2,5-diamino-N-[(3R)-2-oxo-5-phenyl-1-quinoxalin-6-ylpentan-3-yl]pentanamide
CID 123654597
(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-amino-N',N'-bis(2-aminoethyl)-N-[(3S)-1-(2,6-dichloro-4-pyridinyl)-2-oxo-5-phenylpentan-3-yl]butanediamide
CID 159382363
S-(2-ethylphenyl) (2S)-5-amino-2-[[(2S)-2-amino-4-phenylbutanoyl]amino]pentanethioate
CID 20662164
(2R)-2,5-diamino-N-[1-(cyclohexylamino)-1-oxo-4-phenylbutan-2-yl]pentanamide
CID 57398373
(2S)-2,5-diamino-N-(1,3-diphenylpropan-2-yl)pentanamide
CID 155539641
[(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)-2,5-diamino-N-[(2S)-4-(4-fluorophenyl)-1-oxo-1-(quinolin-3-ylamino)butan-2-yl]pentanamide
CID 66963186
(2R)-2-[[(2S)-2,5-diaminopentanoyl]amino]-4-phenylbutanoic acid;methanesulfonic acid;quinoline-3-carboxamide
CID 87216988
(2R)-2,5-diamino-N-[(2S)-4-cyclohexyl-1-oxo-1-(3-phenylpropylamino)butan-2-yl]pentanamide
CID 20662149
(2S)-2,6-diamino-N-[(2R)-1-oxo-4-phenyl-1-(quinolin-3-ylamino)butan-2-yl]hexanamide
CID 11697755

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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide?
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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide (CID 123235214) 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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide.
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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide?
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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide is 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.
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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide?
The InChIKey is DTYJGFFWKTYCGK-AMYRVYNVSA-N. The full InChI is InChI=1S/C26H32N4O3.C22H27ClFN3O2/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;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/h2-6,8-10,12,16,21-22H,7,11,13-15,17,27-28H2,1H3,(H,29,32);1-3,5-6,9-10,13,19-20H,4,7-8,11-12,14,25-26H2,(H,27,29)/t21-,22+;19-,20+/m00/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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide?
(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 has a molecular weight of 868.50 g/mol, XLogP of 4.61, 22 rotatable bonds, 6 hydrogen bond donors, and 10 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-(1-methyl-2-oxoquinolin-3-yl)-2-oxo-5-phenylpentan-3-yl]pentanamide is sourced from PubChem (CID 123235214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).