Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C111H149N27O28 |
Molecular Weight | 2309.5349 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 17 / 17 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CNC2=C1C=CC=C2)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H]4CCCN4C(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CC5=CNC6=C5C=CC=C6)NC(=O)[C@H](CO)NC(=O)[C@H](CC7=CNC8=C7C=CC=C8)NC(=O)[C@H](CC9=CC=C(O)C=C9)NC(=O)[C@H](CC%10=CC=C(O)C=C%10)NC(=O)CN)[C@@H](C)CC)C(=O)NCC(O)=O
InChI
InChIKey=VXXZQHUWZSRPAM-CDJUQFLLSA-N
InChI=1S/C111H149N27O28/c1-5-59(3)94(107(163)123-57-93(150)151)135-103(159)82(49-64-53-119-72-22-11-8-19-69(64)72)131-99(155)77(38-41-92(148)149)127-98(154)76(37-40-91(146)147)125-89(144)55-121-96(152)74(24-13-14-42-112)124-90(145)56-122-106(162)85-26-16-44-137(85)110(166)86-27-17-45-138(86)109(165)78(36-39-87(114)142)129-97(153)75(25-15-43-117-111(115)116)128-108(164)95(60(4)6-2)136-104(160)83(50-65-54-120-73-23-12-9-20-70(65)73)133-105(161)84(58-139)134-102(158)81(48-63-52-118-71-21-10-7-18-68(63)71)132-101(157)80(47-62-30-34-67(141)35-31-62)130-100(156)79(126-88(143)51-113)46-61-28-32-66(140)33-29-61/h7-12,18-23,28-35,52-54,59-60,74-86,94-95,118-120,139-141H,5-6,13-17,24-27,36-51,55-58,112-113H2,1-4H3,(H2,114,142)(H,121,152)(H,122,162)(H,123,163)(H,124,145)(H,125,144)(H,126,143)(H,127,154)(H,128,164)(H,129,153)(H,130,156)(H,131,155)(H,132,157)(H,133,161)(H,134,158)(H,135,159)(H,136,160)(H,146,147)(H,148,149)(H,150,151)(H4,115,116,117)/t59-,60-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,94-,95-/m0/s1
Molecular Formula | C111H149N27O28 |
Molecular Weight | 2309.5349 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 17 / 17 |
E/Z Centers | 9 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:19:35 UTC 2023
by
admin
on
Fri Dec 15 16:19:35 UTC 2023
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Record UNII |
38PLP07BKC
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English | ||
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Common Name | English |
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NCI_THESAURUS |
C308
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C74206
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CHEMBL2107743
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433922-67-9
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QQ-80
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DTXSID60195840
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38PLP07BKC
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DB15272
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8335
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C516151
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16214485
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