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Details

Stereochemistry EPIMERIC
Molecular Formula C55H63FN10O15S
Molecular Weight 1155.21
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYSTEINYL DERUXTECAN

SMILES

CC[C@@]1(O)C(=O)OCC2=C1C=C3N(CC4=C3N=C5C=C(F)C(C)=C6CC[C@H](NC(=O)COCNC(=O)CNC(=O)[C@H](CC7=CC=CC=C7)NC(=O)CNC(=O)CNC(=O)CCCCCN8C(=O)CC(SC[C@H](N)C(O)=O)C8=O)C4=C56)C2=O

InChI

InChIKey=SUDGQFVFAXYWHD-JAGBNQBDSA-N
InChI=1S/C55H63FN10O15S/c1-3-55(79)33-17-39-49-31(23-66(39)51(74)32(33)24-81-54(55)78)48-36(14-13-30-28(2)34(56)18-37(64-49)47(30)48)62-45(71)25-80-27-61-43(69)21-60-50(73)38(16-29-10-6-4-7-11-29)63-44(70)22-59-42(68)20-58-41(67)12-8-5-9-15-65-46(72)19-40(52(65)75)82-26-35(57)53(76)77/h4,6-7,10-11,17-18,35-36,38,40,79H,3,5,8-9,12-16,19-27,57H2,1-2H3,(H,58,67)(H,59,68)(H,60,73)(H,61,69)(H,62,71)(H,63,70)(H,76,77)/t35-,36-,38-,40?,55-/m0/s1

HIDE SMILES / InChI

Molecular Formula C55H63FN10O15S
Molecular Weight 1155.21
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 4 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:05:44 GMT 2023
Edited
by admin
on Fri Dec 15 18:05:44 GMT 2023
Record UNII
I1NS1DHT5R
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYSTEINYL DERUXTECAN
Common Name English
CYSTEINE-N-(6-(3-MERCAPTO-2,5-DIOXO-1-PYRROLIDINYL)-1-OXOHEXYL)GLYCYLGLYCYL-L-PHENYLALANYL-N-((2-(((1S,9S)-9-ETHYL-5-FLUORO-2,3,9,10,13,15-HEXAHYDRO-9-HYDROXY-4-METHYL-10,13-DIOXO-1H,12H-BENZO(DE)PYRANO(3',4':6,7)INDOLIZINO(1,2-B)QUINOLIN-1-YL)AMINO)-2-O
Common Name English
CYSTEINE-MC-GGFG-DXD(1)
Common Name English
Code System Code Type Description
FDA UNII
I1NS1DHT5R
Created by admin on Fri Dec 15 18:05:44 GMT 2023 , Edited by admin on Fri Dec 15 18:05:44 GMT 2023
PRIMARY
PUBCHEM
137528300
Created by admin on Fri Dec 15 18:05:44 GMT 2023 , Edited by admin on Fri Dec 15 18:05:44 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> DERIVATIVE