Dataset

Viroin[3]

Chemical Information

InChI	InChI=1S/C38H56N8O14S/c1-16(2)26-33(54)45-27(18(4)48)34(55)42-24(15-47)37(57)46-14-25(49)29(50)28(46)35(56)39-17(3)30(51)40-22(31(52)41-23(32(53)44-26)13-38(5,6)58)12-20-19-10-8-9-11-21(19)43-36(20)61(7,59)60/h8-11,16-18,22-29,43,47-50,58H,12-15H2,1-7H3,(H,39,56)(H,40,51)(H,41,52)(H,42,55)(H,44,53)(H,45,54)/t17-,18-,22-,23-,24+,25+,26-,27+,28-,29-/m0/s1
SMILES	CC(C)[C@@H]1NC(=O)[C@H](CC(C)(C)O)NC(=O)[C@H](CC2=C(S(C)(=O)=O)NC3=CC=CC=C23)NC(=O)[C@H](C)NC(=O)[C@@H]2[C@@H](O)[C@H](O)CN2C(=O)[C@@H](CO)NC(=O)[C@@H]([C@H](C)O)NC1=O
InChI Key	GFFCURIOCMUIEY-PYPHTBEWSA-N

Data and Resources

• Viroin[3]HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p143.s1391.d6135
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6135
Version
Author
Maintainer
Language	english
MetadataPublished	2025-10-23T07:00:00.000000Z
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H', '13C'] NMR spectrum by dimensionality : 2 NMR probe : Z810701_0059 (PA BBI 500S2 H-BB-D-05 Z) Temperature : 348.0144 K magnetic field strength : 11.74775999581523 Tesla number of scans : 80 scans nuclear magnetic resonance pulse sequence : hsqcedetgpsisp2.4 Spectral Width : [12.0145931088975, 190.194363209053] number of data points : [2048, 64] points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.