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Details

Stereochemistry ABSOLUTE
Molecular Formula C58H87N7O11
Molecular Weight 1058.3517
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of UGODOTIN

SMILES

[H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(O)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)CCC3=CC=C(C=C3)N(C)C(=O)CCCCCN4C(=O)C=CC4=O)C(C)C

InChI

InChIKey=BSCRDFPCRWTKAL-STLJTYBBSA-N
InChI=1S/C58H87N7O11/c1-13-39(6)53(46(75-11)36-50(69)64-33-20-23-45(64)54(76-12)40(7)55(70)59-44(58(73)74)35-42-21-16-14-17-22-42)63(10)57(72)51(37(2)3)60-56(71)52(38(4)5)61(8)34-31-41-25-27-43(28-26-41)62(9)47(66)24-18-15-19-32-65-48(67)29-30-49(65)68/h14,16-17,21-22,25-30,37-40,44-46,51-54H,13,15,18-20,23-24,31-36H2,1-12H3,(H,59,70)(H,60,71)(H,73,74)/t39-,40+,44-,45-,46+,51-,52-,53-,54+/m0/s1

HIDE SMILES / InChI

Molecular Formula C58H87N7O11
Molecular Weight 1058.3517
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 Sat Dec 16 18:33:09 GMT 2023
Edited
by admin
on Sat Dec 16 18:33:09 GMT 2023
Record UNII
LG6T6UG2AS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
UGODOTIN
Common Name English
L-PHENYLALANINE, N-(2-(4-((6-(2,5-DIHYDRO-2,5-DIOXO-1H-PYRROL-1-YL)-1-OXOHEXYL)METHYLAMINO)PHENYL)ETHYL)-N-METHYL-L-VALYL-L-VALYL-(3R,4S,5S)-3-METHOXY-5-METHYL-4-(METHYLAMINO)HEPTANOYL-(.ALPHA.R,.BETA.R,2S)-.BETA.-METHOXY-.ALPHA.-METHYL-2-PYRROLIDINEPROP
Systematic Name English
Code System Code Type Description
PUBCHEM
118475890
Created by admin on Sat Dec 16 18:33:09 GMT 2023 , Edited by admin on Sat Dec 16 18:33:09 GMT 2023
PRIMARY
FDA UNII
LG6T6UG2AS
Created by admin on Sat Dec 16 18:33:09 GMT 2023 , Edited by admin on Sat Dec 16 18:33:09 GMT 2023
PRIMARY
CAS
1820882-94-7
Created by admin on Sat Dec 16 18:33:09 GMT 2023 , Edited by admin on Sat Dec 16 18:33:09 GMT 2023
PRIMARY
Related Record Type Details
DERIVATIVE -> PARENT