Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C37H48N4O5.H2O |
| Molecular Weight | 646.8161 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC(C)[C@H](N1CCCNC1=O)C(=O)N[C@H](C[C@H](O)[C@H](CC2=CC=CC=C2)NC(=O)COC3=C(C)C=CC=C3C)CC4=CC=CC=C4
InChI
InChIKey=XLJJEFLRMQZJDB-YIUCRBITSA-N
InChI=1S/C37H48N4O5.H2O/c1-25(2)34(41-20-12-19-38-37(41)45)36(44)39-30(21-28-15-7-5-8-16-28)23-32(42)31(22-29-17-9-6-10-18-29)40-33(43)24-46-35-26(3)13-11-14-27(35)4;/h5-11,13-18,25,30-32,34,42H,12,19-24H2,1-4H3,(H,38,45)(H,39,44)(H,40,43);1H2/t30-,31-,32-,34-;/m0./s1
| Molecular Formula | C37H48N4O5 |
| Molecular Weight | 628.8008 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| 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 15:39:01 UTC 2023
by
admin
on
Sat Dec 16 15:39:01 UTC 2023
|
| Record UNII |
JK38KEB9D9
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
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JK38KEB9D9
Created by
admin on Sat Dec 16 15:39:01 UTC 2023 , Edited by admin on Sat Dec 16 15:39:01 UTC 2023
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PRIMARY | |||
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66766312
Created by
admin on Sat Dec 16 15:39:01 UTC 2023 , Edited by admin on Sat Dec 16 15:39:01 UTC 2023
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1239071-09-0
Created by
admin on Sat Dec 16 15:39:01 UTC 2023 , Edited by admin on Sat Dec 16 15:39:01 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
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