Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C73H104N18O31S3 |
Molecular Weight | 1825.904 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 19 / 19 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
C[C@@H](O)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC2=CNC3=CC=CC=C23)NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)[C@@H](C)O)[C@@H](C)O)C(O)=O
InChI
InChIKey=LXCWYTUKZXZSAJ-AUHBJGJSSA-N
InChI=1S/C73H104N18O31S3/c1-29(92)55(88-60(108)39(14-17-49(75)97)78-64(112)43(81-59(107)37(74)13-18-51(99)100)22-34-25-77-38-8-6-5-7-36(34)38)70(118)84-45(24-54(105)106)66(114)83-44(23-50(76)98)65(113)85-46(26-123)67(115)80-40(15-19-52(101)102)61(109)89-56(30(2)93)71(119)87-48(28-125)69(117)90-57(31(3)94)72(120)86-47(27-124)68(116)82-42(21-33-9-11-35(96)12-10-33)63(111)79-41(16-20-53(103)104)62(110)91-58(32(4)95)73(121)122/h5-12,25,29-32,37,39-48,55-58,77,92-96,123-125H,13-24,26-28,74H2,1-4H3,(H2,75,97)(H2,76,98)(H,78,112)(H,79,111)(H,80,115)(H,81,107)(H,82,116)(H,83,114)(H,84,118)(H,85,113)(H,86,120)(H,87,119)(H,88,108)(H,89,109)(H,90,117)(H,91,110)(H,99,100)(H,101,102)(H,103,104)(H,105,106)(H,121,122)/t29-,30-,31-,32-,37+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48+,55+,56+,57+,58+/m1/s1
Molecular Formula | C73H104N18O31S3 |
Molecular Weight | 1825.904 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 19 / 19 |
E/Z Centers | 7 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:12:36 GMT 2023
by
admin
on
Sat Dec 16 12:12:36 GMT 2023
|
Record UNII |
041Y48Q3W4
|
Record Status |
Validated (UNII)
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Record Version |
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-
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041Y48Q3W4
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16141711
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admin on Sat Dec 16 12:12:36 GMT 2023 , Edited by admin on Sat Dec 16 12:12:36 GMT 2023
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414903-37-0
Created by
admin on Sat Dec 16 12:12:36 GMT 2023 , Edited by admin on Sat Dec 16 12:12:36 GMT 2023
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DTXSID10194383
Created by
admin on Sat Dec 16 12:12:36 GMT 2023 , Edited by admin on Sat Dec 16 12:12:36 GMT 2023
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Related Record | Type | Details | ||
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DERIVATIVE -> PARENT |