EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

16 Drugs in Development

16 Drugs in Development

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 NEWS #PharmaBuzz

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

16DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Trypsinogen from bovine pancreas, 9002-08-8, Einecs 232-651-3, (2s,5s,8s,11s,14s)-2-(4-aminobutyl)-14-((s)-2-((s)-1-((s)-2-aminopropanoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)-5,8,11-tris(carboxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazahexadecane-1,16-dioic acid

Molecular Formula

C₃₉H₅₅N₉O₁₇

Molecular Weight

921.9 g/mol

InChI Key

NDIORHLFYZGYPG-FNRPHRCSSA-N

The inactive proenzyme of trypsin secreted by the pancreas, activated in the duodenum via cleavage by enteropeptidase. (Stedman, 25th ed)

1 2D Structure

Trypsinogen

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-carboxypropanoyl]amino]hexanoic acid

2.1.2 InChI

InChI=1S/C39H55N9O17/c1-19(41)38(63)48-13-7-11-27(48)37(62)47-22(14-20-8-3-2-4-9-20)32(57)43-24(16-29(51)52)34(59)45-26(18-31(55)56)36(61)46-25(17-30(53)54)35(60)44-23(15-28(49)50)33(58)42-21(39(64)65)10-5-6-12-40/h2-4,8-9,19,21-27H,5-7,10-18,40-41H2,1H3,(H,42,58)(H,43,57)(H,44,60)(H,45,59)(H,46,61)(H,47,62)(H,49,50)(H,51,52)(H,53,54)(H,55,56)(H,64,65)/t19-,21-,22-,23-,24-,25-,26-,27-/m0/s1

2.1.3 InChI Key

NDIORHLFYZGYPG-FNRPHRCSSA-N

2.1.4 Canonical SMILES

CC(C(=O)N1CCCC1C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CC(=O)O)C(=O)NC(CCCCN)C(=O)O)N

2.1.5 Isomeric SMILES

C[C@@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)O)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Trypsinogen 1

2.2.2 Depositor-Supplied Synonyms

1. Trypsinogen From Bovine Pancreas

2. 9002-08-8

3. Einecs 232-651-3

4. (2s,5s,8s,11s,14s)-2-(4-aminobutyl)-14-((s)-2-((s)-1-((s)-2-aminopropanoyl)pyrrolidine-2-carboxamido)-3-phenylpropanamido)-5,8,11-tris(carboxymethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazahexadecane-1,16-dioic Acid

2.3 Create Date

2015-11-11

3 Chemical and Physical Properties

Molecular Formula	C₃₉H₅₅N₉O₁₇
Molecular Weight	921.9 g/mol
XLogP3	-8.9
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	28
Exact Mass	921.37159132 g/mol
Monoisotopic Mass	921.37159132 g/mol
Topological Polar Surface Area	433 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	1770
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1