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(2R，4R)-4-Methyl-1-((S)-2-(3-methylquinoline-8-sulfonamido)-5-(3-nitroguanidino)pentanoyl)piperidine-2-carboxylic acid - ≥99%, high purity , CAS No.74874-10-5

COA

Grade & Purity:

≥99%

Cas Number: 74874-10-5
Molecular Weight: 549.6
PubChem CID: 57514094

In stock

Item Number

M734221

Grouped product items
SKU	Size	Availability	Price
M734221-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$46.90
M734221-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$104.90
M734221-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$283.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organic acids and derivatives
  - Class Carboxylic acids and derivatives
    - Subclass Amino acids, peptides, and analogues
      - Level5 Peptides
        Level6 Dipeptides

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Class	Carboxylic acids and derivatives
Subclass	Amino acids, peptides, and analogues
Intermediate Tree Nodes	Peptides
Direct Parent	Dipeptides
Alternative Parents	Alpha amino acid amides Quinolines and derivatives Piperidinecarboxylic acids N-acylpiperidines Methylpyridines Nitroguanidines Organosulfonamides Benzenoids Tertiary carboxylic acid amides Aminosulfonyl compounds Heteroaromatic compounds Nitramines Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboximidamides Carboxylic acids Monocarboxylic acids and derivatives Organopnictogen compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides Carbonyl compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Alpha-dipeptide - Alpha-amino acid amide - Alpha-amino acid or derivatives - Quinoline - N-acyl-piperidine - Piperidinecarboxylic acid - Nitroguanidine - Methylpyridine - Benzenoid - Organosulfonic acid amide - Pyridine - Piperidine - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary carboxylic acid amide - Nitramine - Aminosulfonyl compound - Sulfonyl - Heteroaromatic compound - Carboxamide group - Guanidine - Organic nitro compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Carboximidamide - Organoheterocyclic compound - Allyl-type 1,3-dipolar organic compound - Azacycle - Carboxylic acid - Monocarboxylic acid or derivatives - Organic salt - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic zwitterion - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as dipeptides. These are organic compounds containing a sequence of exactly two alpha-amino acids joined by a peptide bond.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	(2R,4R)-1-[(2S)-5-[[amino(nitramido)methylidene]amino]-2-[(3-methylquinolin-8-yl)sulfonylamino]pentanoyl]-4-methylpiperidine-2-carboxylic acid
INCHI	InChI=1S/C23H31N7O7S/c1-14-8-10-29(18(12-14)22(32)33)21(31)17(6-4-9-25-23(24)27-30(34)35)28-38(36,37)19-7-3-5-16-11-15(2)13-26-20(16)19/h3,5,7,11,13-14,17-18,28H,4,6,8-10,12H2,1-2H3,(H,32,33)(H3,24,25,27)/t14-,17+,18-/m1/s1
InChIKey	XBDLKMBSCAVLDV-FHLIZLRMSA-N
Smiles	CC1CCN(C(C1)C(=O)O)C(=O)C(CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=C2N=CC(=C3)C
Isomeric SMILES	C[C@@H]1CCN([C@H](C1)C(=O)O)C(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=C2N=CC(=C3)C
PubChem CID	57514094
Molecular Weight	549.6

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	549.600 g/mol
XLogP3	1.700
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	10
Rotatable Bond Count	10
Exact Mass	549.201 Da
Monoisotopic Mass	549.201 Da
Topological Polar Surface Area	221.000 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	997.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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