Dataset

additional

Chemical Info

InChI	InChI=1S/C32H31Br2N3O2/c1-4-39-32(38)31-13-20(26-16-35-28-7-5-21(33)14-24(26)28)12-30(37(31)23-10-18(2)9-19(3)11-23)27-17-36-29-8-6-22(34)15-25(27)29/h5-11,14-17,20,30-31,35-36H,4,12-13H2,1-3H3/t20-,30-,31-/m0/s1
SMILES	CCOC(=O)[C@@H]1C[C@H](C[C@H](N1c1cc(C)cc(c1)C)c1c[nH]c2c1cc(Br)cc2)c1c[nH]c2c1cc(Br)cc2
InChI Key	NYQAUVNBAAORTD-AWRYQFNLSA-N
Molecular Formula	C32H31Br2N3O2
Exact Mass	649.415 g/mol

Data and Resources

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Metadata Information

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• Molecule Data-Sources

Field	Value
DOI	10.14272/NYQAUVNBAAORTD-AWRYQFNLSA-N/additional.1
License URL
Source	https://www.chemotion-repository.net/inchikey/NYQAUVNBAAORTD-AWRYQFNLSA-N/additional.1
Version
Author	Sabilla Zhong
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-06T23:46:49.519772
MetadataModified	2024-09-07T13:06:27.161540
MetadataPublished	2014-05-27

Field	Value
No additional information available for this Dataset.

Data-Source Molecule ID	Data-Source
73427459	PubChem
The data in this table is sourced from UniChem at EBI.