BC-1382 - ≥97% , CAS No.1013753-99-5

CAS: 1013753-99-5 Cat. No.: B171654 Summenformel: C₂₃H₂₉N₃O₅S Molekulargewicht: 459.558 EG-Nummer: 867-579-7 PubChem CID: 17585104

GRADE & PURITY ≥97%

Synonyms

1013753-99-5 | (2S)-2-{[1-(BENZENESULFONYL)PIPERIDIN-4-YL]FORMAMIDO}-N-[(2-METHOXYPHENYL)METHYL]PROPANAMIDE | HY-W062696 | SMR000653344 | MLS001032170 | AKOS005541805 | HMS2958L22 | N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-(phenyl

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

1013753-99-5 | (2S)-2-{[1-(BENZENESULFONYL)PIPERIDIN-4-YL]FORMAMIDO}-N-[(2-METHOXYPHENYL)METHYL]PROPANAMIDE | HY-W062696 | SMR000653344 | MLS001032170 | AKOS005541805 | HMS2958L22 | N-[(1S)-2-[[(2-methoxyphenyl)methyl]amino]-1-methyl-2-oxoethyl]-1-(phenyl

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Aktionsart

INHIBITOR

Reinheit

≥97%

Namen und Kennungen

• Kanonisches Lächeln: CC(C(=O)NCC1=CC=CC=C1OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
• IUPAC Name: 1-(benzenesulfonyl)-N-[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl]piperidine-4-carboxamide
• InChIKey: RCWXKFCEGKXUIN-KRWDZBQOSA-N
• INCHI: 1S/C23H29N3O5S/c1-17(22(27)24-16-19-8-6-7-11-21(19)31-2)25-23(28)18-12-14-26(15-13-18)32(29,30)20-9-4-3-5-10-20/h3-11,17-18H,12-16H2,1-2H3,(H,24,27)(H,25,28)/t17-/m0/s1
• Isomere SMILES: C[C@@H](C(=O)NCC1=CC=CC=C1OC)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3
• PubChem CID: 17585104
• Molekulargewicht: 459.558

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Peptidomimetics
      • Subclass Hybrid peptides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Peptidomimetics
• Subclass: Hybrid peptides
• Intermediate Tree Nodes: Not available
• Direct Parent: Hybrid peptides
• Alternative Parents: N-acyl-alpha amino acids and derivatives Alpha amino acid amides Alanine and derivatives Benzenesulfonamides Piperidinecarboxamides Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Organosulfonamides Sulfonyls Secondary carboxylic acid amides Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Hybrid peptide - N-acyl-alpha amino acid or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Benzenesulfonamide - Benzenesulfonyl group - Piperidinecarboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Organosulfonic acid amide - Piperidine - Benzenoid - Monocyclic benzene moiety - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Sulfonyl - Secondary carboxylic acid amide - Carboxamide group - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Ether - Organonitrogen compound - Carbonyl group - Organopnictogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as hybrid peptides. These are compounds containing at least two different types of amino acids (alpha, beta, gamma, delta) linked to each other through a peptide bond.
• 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

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Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Molekulargewicht: 459.600 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 459.183 Da
• Monoisotopic Mass: 459.183 Da
• Topological Polar Surface Area: 113.000 Ų
• Heavy Atom Count: 32
• Formal Charge: 0
• Complexity: 724.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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