Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C99H155N31O23 |
Molecular Weight | 2147.4839 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 16 / 16 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@@H](N)CC2=CC=C(O)C=C2)([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC4=CNC5=CC=CC=C45)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(O)=O
InChI
InChIKey=JMNJYGMAUMANNW-FIXZTSJVSA-N
InChI=1S/C99H155N31O23/c1-7-55(6)81(129-86(142)66(28-18-40-112-98(107)108)118-83(139)65(27-17-39-111-97(105)106)120-88(144)70(44-54(4)5)125-89(145)71(46-56-21-9-8-10-22-56)117-79(135)52-115-78(134)51-116-82(138)61(102)45-57-31-33-59(131)34-32-57)94(150)122-67(29-19-41-113-99(109)110)95(151)130-42-20-30-75(130)93(149)121-64(26-14-16-38-101)85(141)124-69(43-53(2)3)87(143)119-63(25-13-15-37-100)84(140)126-72(47-58-50-114-62-24-12-11-23-60(58)62)90(146)128-74(49-80(136)137)92(148)127-73(48-77(104)133)91(147)123-68(96(152)153)35-36-76(103)132/h8-12,21-24,31-34,50,53-55,61,63-75,81,114,131H,7,13-20,25-30,35-49,51-52,100-102H2,1-6H3,(H2,103,132)(H2,104,133)(H,115,134)(H,116,138)(H,117,135)(H,118,139)(H,119,143)(H,120,144)(H,121,149)(H,122,150)(H,123,147)(H,124,141)(H,125,145)(H,126,140)(H,127,148)(H,128,146)(H,129,142)(H,136,137)(H,152,153)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t55-,61-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,81-/m0/s1
Molecular Formula | C99H155N31O23 |
Molecular Weight | 2147.4839 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 16 / 16 |
E/Z Centers | 8 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:30:43 GMT 2023
by
admin
on
Sat Dec 16 08:30:43 GMT 2023
|
Record UNII |
9M18T0TD14
|
Record Status |
Validated (UNII)
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Record Version |
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-
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80448-90-4
Created by
admin on Sat Dec 16 08:30:43 GMT 2023 , Edited by admin on Sat Dec 16 08:30:43 GMT 2023
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9M18T0TD14
Created by
admin on Sat Dec 16 08:30:43 GMT 2023 , Edited by admin on Sat Dec 16 08:30:43 GMT 2023
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m4795
Created by
admin on Sat Dec 16 08:30:43 GMT 2023 , Edited by admin on Sat Dec 16 08:30:43 GMT 2023
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16133805
Created by
admin on Sat Dec 16 08:30:43 GMT 2023 , Edited by admin on Sat Dec 16 08:30:43 GMT 2023
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74913-18-1
Created by
admin on Sat Dec 16 08:30:43 GMT 2023 , Edited by admin on Sat Dec 16 08:30:43 GMT 2023
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NO STRUCTURE GIVEN |