Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C120H171N23O32S |
| Molecular Weight | 2479.842 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)[C@@H]2CCCCNC(=O)CN3C=C(C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC1=O)C(=O)N[C@@H](CC4=CC=C(C=C4)C(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC5=CNC6=C5C=C(O)C=C6)C(=O)NC(C)(C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CSCC(=O)N[C@@H](CC7=CC=C(C=C7)C(O)=O)C(=O)N2C)C(=O)NCCCC[C@H](NC(=O)CC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCC(O)=O)C(O)=O)C(O)=O)C(N)=O)C8=C3C=CC=C8)C(C)C
InChI
InChIKey=UUNQJTVHPFMQJB-OMRBBKOSSA-N
InChI=1S/C120H171N23O32S/c1-66(2)99-111(163)136-88(63-144)108(160)135-86(59-92(122)146)107(159)133-84-57-74-61-143(90-33-23-22-30-76(74)90)62-96(150)124-52-29-26-34-91(110(162)138-100(67(3)4)113(165)139-99)142(9)114(166)87(55-70-39-43-72(44-40-70)116(169)170)130-97(151)65-176-64-89(103(155)125-53-28-25-31-79(102(123)154)127-94(148)49-47-82(118(173)174)129-95(149)50-48-81(117(171)172)128-93(147)35-20-18-16-14-12-10-11-13-15-17-19-21-36-98(152)153)137-112(164)101(68(5)6)140-119(175)120(7,8)141-109(161)85(56-73-60-126-78-46-45-75(145)58-77(73)78)134-104(156)80(32-24-27-51-121)131-105(157)83(132-106(84)158)54-69-37-41-71(42-38-69)115(167)168/h22-23,30,33,37-46,58,60-61,66-68,79-89,91,99-101,126,144-145H,10-21,24-29,31-32,34-36,47-57,59,62-65,121H2,1-9H3,(H2,122,146)(H2,123,154)(H,124,150)(H,125,155)(H,127,148)(H,128,147)(H,129,149)(H,130,151)(H,131,157)(H,132,158)(H,133,159)(H,134,156)(H,135,160)(H,136,163)(H,137,164)(H,138,162)(H,139,165)(H,140,175)(H,141,161)(H,152,153)(H,167,168)(H,169,170)(H,171,172)(H,173,174)/t79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,91-,99-,100-,101-/m0/s1
| Molecular Formula | C120H171N23O32S |
| Molecular Weight | 2479.842 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 15 / 15 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 19:17:04 GMT 2025
by
admin
on
Wed Apr 02 19:17:04 GMT 2025
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| Record UNII |
P76WKQ7R9F
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| Record Status |
Validated (UNII)
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| Record Version |
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13406
Created by
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2802416-72-2
Created by
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P76WKQ7R9F
Created by
admin on Wed Apr 02 19:17:04 GMT 2025 , Edited by admin on Wed Apr 02 19:17:04 GMT 2025
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PRIMARY |
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