Derpanicate

CAS

99518-29-3

Catalog Number

ACM99518293

Category

Other Products

Molecular Weight

975.097360 [g/mol]

Molecular Formula

C46H54N8O12S2

MSDS COA Spec Sheet

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Specification

Synonyms

Derpanicate, Derpanicate [INN], CID3086459, 99518-29-3

IUPAC Name

[(3S)-4-[[3-[2-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(pyridine-3-carbonyloxy)butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxo-3-(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate

Canonical SMILES

CC(C)(COC(=O)C1=CN=CC=C1)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4

InChI Key

MEFAKOINNJLWFO-MAZIBIHTSA-N

Boiling Point

1189.7ºC at 760 mmHg

Flash Point

673.3ºC

Density

1.306g/cm³

Exact Mass

974.33000

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of Derpanicate?

The molecular formula of Derpanicate is C46H54N8O12S2.

When was Derpanicate created and modified in PubChem?

Derpanicate was created on February 8, 2007, and modified on December 30, 2023.

What is the molecular weight of Derpanicate?

The molecular weight of Derpanicate is 975.1 g/mol.

What is the IUPAC name of Derpanicate?

The IUPAC name of Derpanicate is [(3R)-4-[[3-[2-[2-[3-[[(2R)-3,3-dimethyl-2,4-bis(pyridine-3-carbonyloxy)butanoyl]amino]propanoylamino]ethyldisulfanyl]ethylamino]-3-oxopropyl]amino]-2,2-dimethyl-4-oxo-3-(pyridine-3-carbonyloxy)butyl] pyridine-3-carboxylate.

What is the InChI key of Derpanicate?

The InChI key of Derpanicate is MEFAKOINNJLWFO-UWXQCODUSA-N.

What is the canonical SMILES of Derpanicate?

The canonical SMILES of Derpanicate is CC(C)(COC(=O)C1=CN=CC=C1)C(C(=O)NCCC(=O)NCCSSCCNC(=O)CCNC(=O)C(C(C)(C)COC(=O)C2=CN=CC=C2)OC(=O)C3=CN=CC=C3)OC(=O)C4=CN=CC=C4.

What is the CAS number of Derpanicate?

The CAS number of Derpanicate is 99518-29-3.

How many hydrogen bond donor counts are there in Derpanicate?

There are 4 hydrogen bond donor counts in Derpanicate.

What is the XLogP3-AA value of Derpanicate?

The XLogP3-AA value of Derpanicate is 2.5.

How many rotatable bond counts are there in Derpanicate?

There are 31 rotatable bond counts in Derpanicate.

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