Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR) (3-[(3S,6S,9S,12R)-3-butan-2-yl-6-[(4-hydroxyphenyl)methyl]-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[10.3.0]pentadecan-9-yl]propanoic acid)

Chemical Info

InChI	InChI=1S/C25H34N4O7/c1-3-14(2)21-25(36)29-12-4-5-19(29)24(35)26-17(10-11-20(31)32)22(33)27-18(23(34)28-21)13-15-6-8-16(30)9-7-15/h6-9,14,17-19,21,30H,3-5,10-13H2,1-2H3,(H,26,35)(H,27,33)(H,28,34)(H,31,32)/t14?,17-,18-,19+,21-/m0/s1
SMILES	CCC(C)[C@@H]1N=C(O)[C@H](Cc2ccc(O)cc2)N=C(O)[C@H](CCC(=O)O)N=C(O)[C@H]2CCCN2C1=O
InChI Key	XKOXVLDNALOEPV-OPFZVLEESA-N
Molecular Formula	C25H34N4O7
Exact Mass	502.568 g/mol

Data and Resources

• 13C nuclear magnetic resonance spectroscopy...HTML
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• 13c-nmr
• chemistry

Related Resources

• This dataset related as IsPartOf to https://dx.doi.org/10.14272/XKOXVLDNALOEPV-OPFZVLEESA-N.1

Metadata Information

• Additional
• Measurement

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source
Version
Author	Herlan, Claudine
Maintainer	chemotion.net
Language	en
MetadataCreated	2022-10-06T16:31:51.460351
MetadataModified	2022-10-06T16:31:51.460355
MetadataPublished

Field	Value
Measurement Technique
Measurement Variables