Autocamtide 2 - ≥98% , CAS No.129198-88-5

CAS: 129198-88-5 Cat. No.: A1290577 Molecular Weight: 1527.77 PubChem CID: 71312099

GRADE & PURITY ≥98%

Storage

Desiccated,Store at -80°C

Shipped In

Dry ice packs + Cold packs

Specifications

Specifications & Purity

≥98%

Storage

Desiccated, Store at -80°C

Shipped In

Dry ice packs + Cold packs

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(C(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N
• IUPAC Name: (2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-carboxypropanoyl]amino]propanoyl]amino]-4-methylpentanoic acid
• InChIKey: WRSMVHZKPDCKNQ-DBSTUJSUSA-N
• INCHI: 1S/C65H118N22O20/c1-31(2)28-43(83-51(94)34(7)76-54(97)38(17-11-13-25-67)78-53(96)37(68)16-10-12-24-66)60(103)80-40(19-15-27-75-65(72)73)55(98)79-39(18-14-26-74-64(70)71)56(99)81-41(20-22-46(69)89)57(100)82-42(21-23-47(90)91)58(101)87-50(36(9)88)62(105)86-49(33(5)6)61(104)84-44(30-48(92)93)59(102)77-35(8)52(95)85-45(63(106)107)29-32(3)4/h31-45,49-50,88H,10-30,66-68H2,1-9H3,(H2,69,89)(H,76,97)(H,77,102)(H,78,96)(H,79,98)(H,80,103)(H,81,99)(H,82,100)(H,83,94)(H,84,104)(H,85,95)(H,86,105)(H,87,101)(H,90,91)(H,92,93)(H,106,107)(H4,70,71,74)(H4,72,73,75)/t34-,35-,36+,37-,38-,39-,40-,41-,42-,43-,44-,45-,49-,50-/m0/s1
• Isomeric SMILES: C[C@H]([C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N)O
• WGK Germany: 3
• PubChem CID: 71312099
• Molecular Weight: 1527.77

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic Polymers
    • Class Polypeptides

• Kingdom: Organic compounds
• Superclass: Organic Polymers
• Class: Polypeptides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Polypeptides
• Alternative Parents: Peptides Glutamic acid and derivatives Glutamine and derivatives Aspartic acid and derivatives Leucine and derivatives Valine and derivatives N-acyl-L-alpha-amino acids Alpha amino acid amides Alanine and derivatives Tricarboxylic acids and derivatives N-acyl amines Secondary carboxylic acid amides Secondary alcohols Primary carboxylic acid amides Amino acids Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Carboxylic acids Carbonyl compounds Monoalkylamines Organopnictogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Polypeptide - Alpha peptide - Glutamic acid or derivatives - Glutamine or derivatives - Aspartic acid or derivatives - Leucine or derivatives - N-acyl-alpha amino acid or derivatives - N-acyl-alpha-amino acid - N-acyl-l-alpha-amino acid - Valine or derivatives - Alpha-amino acid amide - Alanine or derivatives - N-substituted-alpha-amino acid - Alpha-amino acid or derivatives - Tricarboxylic acid or derivatives - Fatty acyl - Fatty amide - N-acyl-amine - Amino acid - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - Primary carboxylic acid amide - Carboxylic acid derivative - Carboxylic acid - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Hydrocarbon derivative - Carbonyl group - Organic oxide - Amine - Primary aliphatic amine - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues.
• 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

Chemical and Physical Properties

• Molecular Weight: 1527.800 g/mol
• XLogP3: -13.000
• Hydrogen Bond Donor Count: 24
• Hydrogen Bond Acceptor Count: 25
• Rotatable Bond Count: 55
• Exact Mass: 1526.89 Da
• Monoisotopic Mass: 1526.89 Da
• Topological Polar Surface Area: 731.000 Ų
• Heavy Atom Count: 107
• Formal Charge: 0
• Complexity: 3040.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 14
• 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