DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

9 Drugs in Development

9 Drugs in Development

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

9DRUGS 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: Unii-xna75ydv3f, Xna75ydv3f, Schembl18214307, Onl1204, Onl-1204, 2040964-58-5

Molecular Formula

C₇₁H₁₀₀N₁₈O₁₆

Molecular Weight

1461.7 g/mol

InChI Key

MDQMJABKOUZYGG-QZJYLVOGSA-N

1 2D Structure

ONL1204

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S)-N-[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-imidazol-5-yl)propanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]butanediamide

2.1.2 InChI

InChI=1S/C71H100N18O16/c1-10-38(7)59(70(104)81-50(61(74)95)25-41-12-18-46(90)19-13-41)88-67(101)53(27-43-16-22-48(92)23-17-43)84-66(100)55(30-56(73)93)86-69(103)58(37(5)6)87-62(96)40(9)80-57(94)33-77-64(98)51(24-36(3)4)83-65(99)52(26-42-14-20-47(91)21-15-42)85-71(105)60(39(8)11-2)89-68(102)54(29-45-32-76-35-79-45)82-63(97)49(72)28-44-31-75-34-78-44/h12-23,31-32,34-40,49-55,58-60,90-92H,10-11,24-30,33,72H2,1-9H3,(H2,73,93)(H2,74,95)(H,75,78)(H,76,79)(H,77,98)(H,80,94)(H,81,104)(H,82,97)(H,83,99)(H,84,100)(H,85,105)(H,86,103)(H,87,96)(H,88,101)(H,89,102)/t38-,39-,40-,49-,50-,51-,52-,53-,54-,55-,58-,59-,60-/m0/s1

2.1.3 InChI Key

MDQMJABKOUZYGG-QZJYLVOGSA-N

2.1.4 Canonical SMILES

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CC(=O)N)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(C(C)CC)NC(=O)C(CC4=CN=CN4)NC(=O)C(CC5=CN=CN5)N

2.1.5 Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC4=CN=CN4)NC(=O)[C@H](CC5=CN=CN5)N

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Onl1204

2.2.2 Depositor-Supplied Synonyms

1. Unii-xna75ydv3f

2. Xna75ydv3f

3. Schembl18214307

4. Onl1204

5. Onl-1204

6. 2040964-58-5

2.3 Create Date

2016-12-08

3 Chemical and Physical Properties

Molecular Formula	C₇₁H₁₀₀N₁₈O₁₆
Molecular Weight	1461.7 g/mol
XLogP3	2.1
Hydrogen Bond Donor Count	19
Hydrogen Bond Acceptor Count	19
Rotatable Bond Count	42
Exact Mass	1460.75646917 g/mol
Monoisotopic Mass	1460.75646917 g/mol
Topological Polar Surface Area	550 Å²
Heavy Atom Count	105
Formal Charge	0
Complexity	2890
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1