Endotoxin substrate - ≥99% , CAS No.68223-96-1

CAS: 68223-96-1 Cat. No.: E961552 PubChem CID: 9872650

GRADE & PURITY ≥99%

Storage

Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

사양 및 순도

≥99%

보관 조건

Desiccated,Store at -80°C

배송

Dry ice packs + Cold packs

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

순수함

≥99%

이름과 식별자

• 정식 스마일: CC(C)CC(C(=O)NCC(=O)NC(CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
• IUPAC Name: tert-butyl N-[(2S)-1-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
• InChIKey: XYZOMPCEZFRTOR-OALUTQOASA-N
• INCHI: 1S/C25H40N8O7/c1-15(2)13-19(32-24(37)40-25(3,4)5)21(35)29-14-20(34)31-18(7-6-12-28-23(26)27)22(36)30-16-8-10-17(11-9-16)33(38)39/h8-11,15,18-19H,6-7,12-14H2,1-5H3,(H,29,35)(H,30,36)(H,31,34)(H,32,37)(H4,26,27,28)/t18-,19-/m0/s1
• 이성체 SMILES: CC(C)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C
• PubChem CID: 9872650
• MeSH 용어: boc-Leu-Gly-Arg-pNA;butyloxycarbonyl-leucyl-glycyl-arginine-4-nitroanilide;butyloxycarbonyl-leucyl-glycyl-arginyl-para-nitroanilide;N-tert-butoxycarbonyl-L-leucyl-L-glycyl-L-arginine-p-nitroaniline

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • 분류 Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Peptides
          • Level6 Oligopeptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• 분류: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Peptides
• Direct Parent: Oligopeptides
• Alternative Parents: Leucine and derivatives N-acyl-alpha amino acids and derivatives Alpha amino acid amides Anilides Nitrobenzenes Nitroaromatic compounds N-arylamides N-acyl amines Carbamate esters Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Organic oxoazanium compounds Organic zwitterions Carbonyl compounds Organic salts Hydrocarbon derivatives Organic oxides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alpha-oligopeptide - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Nitrobenzene - Anilide - Nitroaromatic compound - N-arylamide - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Benzenoid - Carbamic acid ester - Secondary carboxylic acid amide - Carboxamide group - Organic nitro compound - C-nitro compound - Guanidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic salt - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organic zwitterion - Aromatic homomonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as oligopeptides. These are organic compounds containing a sequence of between three and ten alpha-amino acids joined by peptide bonds.
• External Descriptors: Not available

Data sources

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

화학 및 물리적 특성

• 분자량: 564.600 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 15
• Exact Mass: 564.302 Da
• Monoisotopic Mass: 564.302 Da
• Topological Polar Surface Area: 236.000 Ų
• Heavy Atom Count: 40
• Formal Charge: 0
• Complexity: 902.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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