Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C103H150N22O47S3 |
Molecular Weight | 2544.607 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H][C@](NC(=O)CC[C@H](NC(=O)C1=CC=C(NCC2=NC3=C(N=C2)N=C(N)NC3=O)C=C1)C(O)=O)([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@]([H])([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@]([H])([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@]([H])([C@@H](O)[C@H](O)[C@H](O)CO)C(=O)N[C@H](CSSCCOC(=O)NNC(=O)[C@@H](C)C[C@H](CC4=CC=C(O)C=C4)NC(=O)C5=CSC(=N5)[C@@H](C[C@H](C(C)C)N(COC(=O)CCC)C(=O)[C@@H](NC(=O)[C@H]6CCCCN6C)[C@@H](C)CC)OC(C)=O)C(O)=O
InChI
InChIKey=XFNWCSFXCDIELX-MHLXPARFSA-N
InChI=1S/C103H150N22O47S3/c1-9-13-70(143)171-42-125(99(164)71(44(5)10-2)116-92(158)59-14-11-12-25-124(59)8)60(43(3)4)33-65(172-46(7)130)98-114-57(40-173-98)91(157)108-50(29-47-15-21-52(131)22-16-47)28-45(6)86(152)122-123-103(169)170-26-27-174-175-41-58(101(167)168)113-96(162)75(84(151)80(147)64(135)39-129)119-90(156)56(32-69(141)142)112-95(161)74(83(150)79(146)63(134)38-128)118-89(155)55(31-68(139)140)111-94(160)73(82(149)78(145)62(133)37-127)117-88(154)54(30-67(137)138)110-93(159)72(81(148)77(144)61(132)36-126)115-66(136)24-23-53(100(165)166)109-87(153)48-17-19-49(20-18-48)105-34-51-35-106-85-76(107-51)97(163)121-102(104)120-85/h15-22,35,40,43-45,50,53-56,58-65,71-75,77-84,105,126-129,131-135,144-151H,9-14,23-34,36-39,41-42H2,1-8H3,(H,108,157)(H,109,153)(H,110,159)(H,111,160)(H,112,161)(H,113,162)(H,115,136)(H,116,158)(H,117,154)(H,118,155)(H,119,156)(H,122,152)(H,123,169)(H,137,138)(H,139,140)(H,141,142)(H,165,166)(H,167,168)(H3,104,106,120,121,163)/t44-,45-,50+,53-,54-,55-,56-,58+,59+,60+,61+,62+,63+,64+,65+,71-,72-,73-,74-,75-,77+,78+,79+,80+,81+,82+,83+,84+/m0/s1
Molecular Formula | C103H150N22O47S3 |
Molecular Weight | 2544.607 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 28 / 28 |
E/Z Centers | 8 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 08:30:34 GMT 2023
by
admin
on
Sat Dec 16 08:30:34 GMT 2023
|
Record UNII |
6GO6UQ914E
|
Record Status |
Validated (UNII)
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Record Version |
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-
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6GO6UQ914E
Created by
admin on Sat Dec 16 08:30:34 GMT 2023 , Edited by admin on Sat Dec 16 08:30:34 GMT 2023
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1096413-47-6
Created by
admin on Sat Dec 16 08:30:34 GMT 2023 , Edited by admin on Sat Dec 16 08:30:34 GMT 2023
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72941983
Created by
admin on Sat Dec 16 08:30:34 GMT 2023 , Edited by admin on Sat Dec 16 08:30:34 GMT 2023
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PRIMARY |