Go to resource

EstercinA_spectra_UZH.noesy

URL: https://nmrxiv.org/D3600

Dataset description:

This dataset contains NMR spectra obtained for the sample -EstercinA_spectra_UZH date: 2024-06-03T12:40:08.000Z isFt: true name: EstercinA_spectra_UZH/600 phc0: -142.7414,90 phc1:...

Source: EstercinA_spectra_UZH.noesy

Chemical Info

molecular Image

InChI	InChI=1S/C123H170N32O35S3/c1-12-60(6)98(151-117(183)96(58(2)3)149-94(165)51-131-91(162)48-129-90(161)45-125)118(184)152-99(63(9)157)119(185)154-101-65(11)193-56-87-113(179)140-78(41-68-29-33-72(159)34-30-68)105(171)139-77(40-67-27-31-71(158)32-28-67)106(172)142-82(44-89(126)160)108(174)146-85-54-191-53-84(111(177)138-76(123(189)190)25-18-19-37-124)147-112(178)86(55-192-64(10)100(153-109(175)79(143-121(101)187)39-66-21-14-13-15-22-66)120(186)144-81(43-70-47-127-57-133-70)107(173)137-75(104(170)148-87)35-36-95(166)167)136-93(164)50-130-92(163)49-132-103(169)80(42-69-46-128-74-24-17-16-23-73(69)74)141-110(176)83(52-156)145-102(168)61(7)134-115(181)88-26-20-38-155(88)122(188)62(8)135-116(182)97(59(4)5)150-114(85)180/h13-17,21-24,27-34,46-47,57-61,63-65,75-88,96-101,128,156-159H,8,12,18-20,25-26,35-45,48-56,124-125H2,1-7,9-11H3,(H2,126,160)(H,127,133)(H,129,161)(H,130,163)(H,131,162)(H,132,169)(H,134,181)(H,135,182)(H,136,164)(H,137,173)(H,138,177)(H,139,171)(H,140,179)(H,141,176)(H,142,172)(H,143,187)(H,144,186)(H,145,168)(H,146,174)(H,147,178)(H,148,170)(H,149,165)(H,150,180)(H,151,183)(H,152,184)(H,153,175)(H,154,185)(H,166,167)(H,189,190)/t60-,61-,63+,64?,65?,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85?,86-,87-,88-,96-,97-,98-,99-,100?,101?/m0/s1
SMILES	C=C1NC(=O)[C@H](C(C)C)NC(=O)C2CSC[C@@H](C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CSC(C)C3NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)C(NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CN)C(C)C)[C@@H](C)CC)[C@@H](C)O)C(C)SC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC=N4)NC3=O)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CC3=CC=C(O)C=C3)C(=O)N[C@@H](CC(N)=O)C(=O)N2)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CNC3=C2C=CC=C3)NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C1=O
InChI Key	BHCAOKZATNKCRH-SNMKSKEHSA-N

There are no views created for this resource yet.

Additional Information

Field	Value
Data last updated	February 3, 2025
Metadata last updated	February 3, 2025
Created	February 3, 2025
Format	HTML
License	Attribution-NonCommercial-ShareAlike 4.0 International
Id	1663f3c9-9715-4b71-a49e-639e31c1ddb2
Package id	nmrxiv-d3600
Resource type	HTML
State	active