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methyl (3S,6S,8aS)-6-(tert-butoxycarbonylamino)-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate - 97%, high purity , CAS No.159303-54-5

COA

Grade & Purity:

≥97%

Cas Number: 159303-54-5
Molecular Weight: 312.36
PubChem CID: 10380801

In stock

Item Number

M629758

Grouped product items
SKU	Size	Availability	Price	Qty
M629758-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$599.90
M629758-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,201.90

Basic Description

Synonyms	159303-54-5 \| (3S,6S,8aS)-Methyl 6-((tert-butoxycarbonyl)amino)-5-oxooctahydroindolizine-3-carboxylate \| METHYL (3S,6S,8AS)-6-[(TERT-BUTOXYCARBONYL)AMINO]-5-OXOOCTAHYDROINDOLIZINE-3-CARBOXYLATE \| methyl (3S,6S,8aS)-6-[(2-methylpropan-2-yl)oxycarbonylamino
Specifications & Purity	≥97%
Shipped In	Normal

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 Cyclic peptides

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	Cyclic peptides
Alternative Parents	Alpha amino acid esters Indolizidines Pyrrolidine carboxylic acids Piperidinones Delta lactams Tertiary carboxylic acid amides Methyl esters Carbamate esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aliphatic heteropolycyclic compounds
Substituents	Cyclic alpha peptide - Alpha-amino acid ester - Alpha-amino acid or derivatives - Indolizidine - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Delta-lactam - Piperidinone - Piperidine - Pyrrolidine - Carbamic acid ester - Methyl ester - Tertiary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Monocarboxylic acid or derivatives - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aliphatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as cyclic peptides. These are compounds containing a cyclic moiety bearing a peptide backbone.
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	methyl (3S,6S,8aS)-6-[(2-methylpropan-2-yl)oxycarbonylamino]-5-oxo-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carboxylate
INCHI	InChI=1S/C15H24N2O5/c1-15(2,3)22-14(20)16-10-7-5-9-6-8-11(13(19)21-4)17(9)12(10)18/h9-11H,5-8H2,1-4H3,(H,16,20)/t9-,10-,11-/m0/s1
InChIKey	RBDIIUAKDGDILT-DCAQKATOSA-N
Smiles	CC(C)(C)OC(=O)NC1CCC2CCC(N2C1=O)C(=O)OC
Isomeric SMILES	CC(C)(C)OC(=O)N[C@H]1CC[C@H]2CC[C@H](N2C1=O)C(=O)OC
PubChem CID	10380801
Molecular Weight	312.36

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	312.360 g/mol
XLogP3	1.500
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	312.169 Da
Monoisotopic Mass	312.169 Da
Topological Polar Surface Area	84.900 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	471.000
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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