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Details

Stereochemistry MIXED
Molecular Formula C63H70N10O17S2
Molecular Weight 1303.417
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 7
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CYSTEINYL-SULFONATED-DGN-549C

SMILES

[H][C@@]12CC3=CC=CC=C3N1C(=O)C4=C(NC2)C=C(OCC5=CC(COC6=CC7=C(C=C6OC)C(=O)N8C9=CC=CC=C9C[C@@]8([H])C(N7)S(O)(=O)=O)=CC(NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCCCC(=O)NCCN%10C(=O)CC(SC[C@H](N)C(O)=O)C%10=O)=C5)C(OC)=C4

InChI

InChIKey=HUBDXLAQPUOLNZ-XODFGUIKSA-N
InChI=1S/C63H70N10O17S2/c1-33(67-55(75)16-10-9-15-54(74)65-17-18-71-56(76)28-53(62(71)81)91-32-43(64)63(82)83)57(77)68-34(2)58(78)69-39-20-35(30-89-51-26-44-41(24-49(51)87-3)60(79)72-40(29-66-44)22-37-11-5-7-13-46(37)72)19-36(21-39)31-90-52-27-45-42(25-50(52)88-4)61(80)73-47-14-8-6-12-38(47)23-48(73)59(70-45)92(84,85)86/h5-8,11-14,19-21,24-27,33-34,40,43,48,53,59,66,70H,9-10,15-18,22-23,28-32,64H2,1-4H3,(H,65,74)(H,67,75)(H,68,77)(H,69,78)(H,82,83)(H,84,85,86)/t33-,34-,40-,43-,48-,53?,59?/m0/s1

HIDE SMILES / InChI

Molecular Formula C63H70N10O17S2
Molecular Weight 1303.417
Charge 0
Count
Stereochemistry MIXED
Additional Stereochemistry No
Defined Stereocenters 5 / 7
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:26:49 GMT 2023
Edited
by admin
on Sat Dec 16 14:26:49 GMT 2023
Record UNII
NN3OD2WL2Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CYSTEINYL-SULFONATED-DGN-549C
Common Name English
IMGN-632-CYSTEINYL-TOXIN CONJUGATE
Common Name English
Code System Code Type Description
PUBCHEM
156596476
Created by admin on Sat Dec 16 14:26:49 GMT 2023 , Edited by admin on Sat Dec 16 14:26:49 GMT 2023
PRIMARY
CAS
2227468-33-7
Created by admin on Sat Dec 16 14:26:49 GMT 2023 , Edited by admin on Sat Dec 16 14:26:49 GMT 2023
MAJOR COMPONENT STRUCTURE/SEQUENCE
FDA UNII
NN3OD2WL2Z
Created by admin on Sat Dec 16 14:26:49 GMT 2023 , Edited by admin on Sat Dec 16 14:26:49 GMT 2023
PRIMARY
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