Dataset

Amaninamide[34316]

Chemical Information

InChI	InChI=1S/C39H54N10O13S/c1-4-17(2)31-36(59)42-12-29(54)43-25-16-63(62)38-21(20-7-5-6-8-22(20)46-38)10-23(33(56)41-13-30(55)47-31)44-37(60)32(18(3)27(52)15-50)48-35(58)26-9-19(51)14-49(26)39(61)24(11-28(40)53)45-34(25)57/h5-8,17-19,23-27,31-32,46,50-52H,4,9-16H2,1-3H3,(H2,40,53)(H,41,56)(H,42,59)(H,43,54)(H,44,60)(H,45,57)(H,47,55)(H,48,58)/t17-,18-,19+,23-,24-,25-,26-,27-,31-,32-,63+/m0/s1
SMILES	CC[C@H](C)[C@@H]1NC(=O)CNC(=O)[C@@H]2CC3=C(NC4=C3C=CC=C4)[S@+]([O-])C[C@H](NC(=O)CNC1=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@@H]([C@@H](C)[C@@H](O)CO)C(=O)N2
InChI Key	BOHCOUQZNDPURZ-ICNZIKDASA-N

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.57992/nmrxiv.p143.s1390.d6131
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D6131
Version
Author
Maintainer
Language	english
MetadataPublished	2025-10-23T07:00:00.000000Z
Related Molecule

Field	Value
Measurement Technique	1H nuclear magnetic resonance spectroscopy
Measurement Variables	NMR solvent : DMSO acquisition nucleus : ['1H'] NMR spectrum by dimensionality : 1 NMR probe : Z188470_0001 (CP2.1 MNI 500S2 H-P/C/N-D-03 Z) Temperature : 302.9984 K magnetic field strength : 11.747994861766083 Tesla number of scans : 64 scans nuclear magnetic resonance pulse sequence : zg30 Spectral Width : 13.693065848603 number of data points : 58008 points relaxation time measurement : 1 seconds

Data-Source Molecule ID	Data-Source
119057383	PubChem
A0W351848Z	FDA SRS
The data in this table is sourced from UniChem at EBI.