Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C52H79N19O13S2 |
| Molecular Weight | 1242.433 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC2=C(C=C1)N(CC(=O)N[C@@H](CCCNC(N)=N)C(O)=O)C(=O)[C@@H](CS2)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CC=CS3)NC(=O)CNC(=O)[C@@H]4C[C@@H](O)CN4C(=O)[C@@H]5CCCN5C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](N)CCCNC(N)=N
InChI
InChIKey=DNDDMQTWFHNCBQ-SURKMBBYSA-N
InChI=1S/C52H79N19O13S2/c1-27-12-13-36-39(19-27)86-26-35(47(81)71(36)24-41(75)64-32(49(83)84)10-4-16-62-52(58)59)68-44(78)34(25-72)67-43(77)33(21-29-7-6-18-85-29)65-40(74)22-63-45(79)38-20-28(73)23-70(38)48(82)37-11-5-17-69(37)46(80)31(9-3-15-61-51(56)57)66-42(76)30(53)8-2-14-60-50(54)55/h6-7,12-13,18-19,28,30-35,37-38,72-73H,2-5,8-11,14-17,20-26,53H2,1H3,(H,63,79)(H,64,75)(H,65,74)(H,66,76)(H,67,77)(H,68,78)(H,83,84)(H4,54,55,60)(H4,56,57,61)(H4,58,59,62)/t28-,30-,31+,32+,33+,34+,35-,37+,38+/m1/s1
| Molecular Formula | C52H79N19O13S2 |
| Molecular Weight | 1242.433 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 21:50:31 GMT 2025
by
admin
on
Mon Mar 31 21:50:31 GMT 2025
|
| Record UNII |
42HSP7BZSD
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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9920050
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42HSP7BZSD
Created by
admin on Mon Mar 31 21:50:31 GMT 2025 , Edited by admin on Mon Mar 31 21:50:31 GMT 2025
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250762-99-3
Created by
admin on Mon Mar 31 21:50:31 GMT 2025 , Edited by admin on Mon Mar 31 21:50:31 GMT 2025
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PRIMARY |
| Related Record | Type | Details | ||
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