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Details

Stereochemistry EPIMERIC
Molecular Formula C48H72ClN5O16S3
Molecular Weight 1106.7622
Optical Activity UNSPECIFIED
Defined Stereocenters 9 / 10
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SORAVTANSINE-LYSINE

SMILES

C/C/1=C(/[H])\C(\[H])=C(/[H])\[C@]([H])([C@]2(C[C@@]([H])([C@@]([H])(C)[C@@]3([H])[C@](C)([C@]([H])(CC(=O)N(C)c4cc(C1)cc(c4Cl)OC)OC(=O)[C@]([H])(C)N(C)C(=O)CCC(C)(C)SSCCC([H])(C(=NCCCC[C@@]([H])(C(=O)O)N)O)S(=O)(=O)O)O3)OC(=N2)O)O)OC

InChI

InChIKey=GJWXRFICKTVOHO-PSJKACIBSA-N
InChI=1S/C48H72ClN5O16S3/c1-27-14-13-16-36(67-10)48(62)26-34(68-45(61)52-48)28(2)41-47(6,70-41)37(25-39(56)54(8)32-23-30(22-27)24-33(66-9)40(32)49)69-44(60)29(3)53(7)38(55)17-19-46(4,5)72-71-21-18-35(73(63,64)65)42(57)51-20-12-11-15-31(50)43(58)59/h13-14,16,23-24,28-29,31,34-37,41,62H,11-12,15,17-22,25-26,50H2,1-10H3,(H,51,57)(H,52,61)(H,58,59)(H,63,64,65)/b16-13+,27-14+/t28-,29+,31+,34+,35?,36-,37+,41+,47+,48+/m1/s1

HIDE SMILES / InChI

Molecular Formula C48H72ClN5O16S3
Molecular Weight 1106.7622
Charge 0
Count
Stereochemistry EPIMERIC
Additional Stereochemistry No
Defined Stereocenters 9 / 10
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Jun 26 12:43:15 UTC 2021
Edited
by admin
on Sat Jun 26 12:43:15 UTC 2021
Record UNII
VIX9T64XBU
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SORAVTANSINE-LYSINE
Common Name English
DM4-SULFO-SPDB-LYSINE
Common Name English
MAYTANSINE, N2'-(4-((4-(((5S)-5-AMINO-5-CARBOXYPENTYL)AMINO)-4-OXO-3-SULFOBUTYL)DITHIO)-4-METHYL-1-OXOPENTYL)-N2'-DEACETYL-
Systematic Name English
Code System Code Type Description
FDA UNII
VIX9T64XBU
Created by admin on Sat Jun 26 12:43:15 UTC 2021 , Edited by admin on Sat Jun 26 12:43:15 UTC 2021
PRIMARY
PUBCHEM
137321958
Created by admin on Sat Jun 26 12:43:15 UTC 2021 , Edited by admin on Sat Jun 26 12:43:15 UTC 2021
PRIMARY
CAS
1704738-03-3
Created by admin on Sat Jun 26 12:43:15 UTC 2021 , Edited by admin on Sat Jun 26 12:43:15 UTC 2021
PRIMARY
Related Record Type Details
CONJUGATE->CONJUGATE COMPONENT