Go to resource

EstercinA_spectra_UZH.1d

URL: https://nmrxiv.org/D3604

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.1d

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	cddf48d4-d363-4432-83eb-091ee83bb5d9
Package id	nmrxiv-d3604
Resource type	HTML
State	active