Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C52H74N16O15S2.2C2H4O2.5H2O |
Molecular Weight | 1437.552 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.O.O.CC(O)=O.CC(O)=O.[H][C@@]2(CC1=CC=CC=C1)NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC2=O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CCCCN)C(=O)NCC(N)=O)NC(=O)CNC(=O)CNC(=O)CN
InChI
InChIKey=MLECZWUGJYWVAV-NSECCGHPSA-N
InChI=1S/C52H74N16O15S2.2C2H4O2.5H2O/c53-17-5-4-9-31(45(76)60-23-41(57)72)63-51(82)38-10-6-18-68(38)52(83)37-27-85-84-26-36(61-44(75)25-59-43(74)24-58-42(73)22-54)50(81)65-34(20-29-11-13-30(69)14-12-29)48(79)64-33(19-28-7-2-1-3-8-28)47(78)62-32(15-16-39(55)70)46(77)66-35(21-40(56)71)49(80)67-37;2*1-2(3)4;;;;;/h1-3,7-8,11-14,31-38,69H,4-6,9-10,15-27,53-54H2,(H2,55,70)(H2,56,71)(H2,57,72)(H,58,73)(H,59,74)(H,60,76)(H,61,75)(H,62,78)(H,63,82)(H,64,79)(H,65,81)(H,66,77)(H,67,80);2*1H3,(H,3,4);5*1H2/t31-,32-,33-,34-,35-,36-,37-,38-;;;;;;;/m0......./s1
Molecular Formula | C52H74N16O15S2 |
Molecular Weight | 1227.372 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 8 / 8 |
E/Z Centers | 3 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C2H4O2 |
Molecular Weight | 60.052 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 15:15:22 GMT 2023
by
admin
on
Sat Dec 16 15:15:22 GMT 2023
|
Record UNII |
4U092XZF0K
|
Record Status |
alternative
|
Record Version |
|
-
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Related Record | Type | Details | ||
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Primary Definition |