Dataset

infrared absorption spectroscopy (IR)

Chemical Info

InChI	InChI=1S/C48H57N3O10/c1-27(2)32-22-21-28(3)23-39(32)61-46(56)35-26-38(48(58)60-5)51(42(35)31-19-13-8-14-20-31)44(53)34-25-37(45(54)55)50(41(34)30-17-11-7-12-18-30)43(52)33-24-36(47(57)59-4)49-40(33)29-15-9-6-10-16-29/h6-20,27-28,32-42,49H,21-26H2,1-5H3,(H,54,55)/t28-,32+,33+,34-,35+,36+,37-,38+,39-,40+,41-,42+/m1/s1
SMILES	COC(=O)[C@@H]1C[C@@H]([C@@H](N1C(=O)[C@@H]1C[C@@H](N([C@@H]1c1ccccc1)C(=O)[C@H]1C[C@H](N[C@H]1c1ccccc1)C(=O)OC)C(=O)O)c1ccccc1)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C
InChI Key	FTIJDBXTGGTDNM-BAZPEEIBSA-N
Molecular Formula	C48H57N3O10
Exact Mass	835.980 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FTIJDBXTGGTDNM-BAZPEEIBSA-N/IR
License URL
Source	https://www.chemotion-repository.net/inchikey/FTIJDBXTGGTDNM-BAZPEEIBSA-N/IR
Version
Author	Yu-Chieh Huang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T01:11:59.584871
MetadataModified	2024-09-07T15:15:14.321156
MetadataPublished	2019-06-27
Related Molecule

Field	Value
Measurement Technique	infrared absorption spectroscopy
Measurement Variables

Data-Source Molecule ID	Data-Source
138453450	PubChem
The data in this table is sourced from UniChem at EBI.