Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C145H242N44O54S2 |
| Molecular Weight | 3529.865 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 34 / 34 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[#6]C([#6])C[C@H](NC(=O)[C@@H](NC(=O)[C@H](CS(O)(=O)=O)NC(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC([#6])[#6])NC(=O)[C@H](CC([#7])=O)NC(=O)[C@H](CO)NC(=O)[C@@H]([#7])CS(O)(=O)=O)[C@@H]([#6])O)[C@@H]([#6])[#6])C(=O)NCC(=O)N[C@@H](CCCC[#7])C(=O)N[C@@H](CC([#6])[#6])C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC([#7])=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CC([#6])[#6])C(=O)N[C@@H](Cc1@:c@:n@:c@:n1)C(=O)N[C@@H](CCCC[#7])C(=O)N[C@@H](CC([#6])[#6])C(=O)N[C@@H](CCC([#7])=O)C(=O)N[C@@H]([C@@H]([#6])O)C(=O)N[C@@H](Cc2@:c@:c@:c(O)@:c@:c2)C(=O)N3@C@C@C@[C@H]3C(=O)N[C@@H](CCCNC([#7])=N)C(=O)N[C@@H]([C@@H]([#6])O)C(=O)N[C@@H](CC([#7])=O)C(=O)N[C@@H]([C@@H]([#6])O)C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]([C@@H]([#6])O)C(=O)N4@C@C@C@[C@H]4C([#7])=O
InChI
InChIKey=RKNGDSFOJNIXIP-VJVYQDLKSA-N
InChI=1S/C145H242N44O54S2/c1-65(2)45-86(175-139(232)110(70(11)12)183-136(229)99(63-245(241,242)243)181-142(235)114(74(16)197)187-135(228)98(61-193)180-129(222)90(49-69(9)10)172-131(224)92(52-104(151)202)174-134(227)96(59-191)178-117(210)79(148)62-244(238,239)240)118(211)158-55-106(204)162-80(25-18-20-40-146)120(213)169-89(48-68(7)8)128(221)179-97(60-192)133(226)167-83(34-37-102(149)200)122(215)165-85(36-39-109(207)208)123(216)171-88(47-67(5)6)127(220)173-91(51-77-54-156-64-161-77)130(223)164-81(26-19-21-41-147)121(214)170-87(46-66(3)4)126(219)166-84(35-38-103(150)201)125(218)186-113(73(15)196)141(234)177-94(50-76-30-32-78(199)33-31-76)143(236)189-44-24-29-101(189)137(230)168-82(27-22-42-157-145(154)155)124(217)185-112(72(14)195)140(233)176-93(53-105(152)203)132(225)184-111(71(13)194)138(231)160-56-107(205)163-95(58-190)119(212)159-57-108(206)182-115(75(17)198)144(237)188-43-23-28-100(188)116(153)209/h30-33,54,64-75,79-101,110-115,190-199H,18-29,34-53,55-63,146-148H2,1-17H3,(H2,149,200)(H2,150,201)(H2,151,202)(H2,152,203)(H2,153,209)(H,156,161)(H,158,211)(H,159,212)(H,160,231)(H,162,204)(H,163,205)(H,164,223)(H,165,215)(H,166,219)(H,167,226)(H,168,230)(H,169,213)(H,170,214)(H,171,216)(H,172,224)(H,173,220)(H,174,227)(H,175,232)(H,176,233)(H,177,234)(H,178,210)(H,179,221)(H,180,222)(H,181,235)(H,182,206)(H,183,229)(H,184,225)(H,185,217)(H,186,218)(H,187,228)(H,207,208)(H4,154,155,157)(H,238,239,240)(H,241,242,243)/t71-,72-,73-,74-,75-,79+,80+,81+,82+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,97+,98+,99+,100+,101+,110+,111+,112+,113+,114+,115+/m1/s1
| Molecular Formula | C145H242N44O54S2 |
| Molecular Weight | 3529.865 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 34 / 34 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 16:58:10 GMT 2025
by
admin
on
Wed Apr 02 16:58:10 GMT 2025
|
| Record UNII |
B7Q62ZYA6T
|
| Record Status |
alternative
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| Record Version |
|
-
Download
| Related Record | Type | Details | ||
|---|---|---|---|---|
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Primary Definition |