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

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 Listed Suppliers

1 API Suppliers
1 Listed Suppliers

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

0 DRUGS 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: Nsc376128, From dolabella auricularia (sea hare), Neuro_000215, Schembl13840941, Ft-0699905

Molecular Formula

C₄₂H₆₈N₆O₆S

Molecular Weight

785.1 g/mol

InChI Key

OFDNQWIFNXBECV-UHFFFAOYSA-N

2-(dimethylamino)-N-[1-({3-methoxy-1-[2-(1-methoxy-2-methyl-2-{[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]carbamoyl}ethyl)pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl}(methyl)carbamoyl)-2-methylpropyl]-3-methylbutanamide is a natural product found in Dolabella auricularia with data available.

1 2D Structure

Dolastatin 10

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[[2-(dimethylamino)-3-methylbutanoyl]amino]-N-[3-methoxy-1-[2-[1-methoxy-2-methyl-3-oxo-3-[[2-phenyl-1-(1,3-thiazol-2-yl)ethyl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxoheptan-4-yl]-N,3-dimethylbutanamide

2.1.2 InChI

InChI=1S/C42H68N6O6S/c1-13-28(6)37(47(10)42(52)35(26(2)3)45-40(51)36(27(4)5)46(8)9)33(53-11)25-34(49)48-22-17-20-32(48)38(54-12)29(7)39(50)44-31(41-43-21-23-55-41)24-30-18-15-14-16-19-30/h14-16,18-19,21,23,26-29,31-33,35-38H,13,17,20,22,24-25H2,1-12H3,(H,44,50)(H,45,51)

2.1.3 InChI Key

OFDNQWIFNXBECV-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Nsc376128

2. From Dolabella Auricularia (sea Hare)

3. Neuro_000215

4. Schembl13840941

5. Ft-0699905

2.3 Create Date

2005-06-24

3 Chemical and Physical Properties

Molecular Formula	C₄₂H₆₈N₆O₆S
Molecular Weight	785.1 g/mol
XLogP3	5.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	21
Exact Mass	784.49210508 g/mol
Monoisotopic Mass	784.49210508 g/mol
Topological Polar Surface Area	162 Å²
Heavy Atom Count	55
Formal Charge	0
Complexity	1220
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	9
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1