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Substance Name: Sulfonium, (3-(((2'-(2-(((1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz(e)indol-3-yl)oxoacetyl)amino)ethyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethyl-, iodide, (S)-
RN: 188637-89-0
InChIKey: YUOAWJWYVKOXCX-UHFFFAOYSA-N

Molecular Formula

  • C29-H31-Cl-N5-O4-S3.I

Molecular Weight

  • 772.146
 
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Names and Synonyms

  • Sulfonium, (3-(((2'-(2-(((1-(chloromethyl)-1,2-dihydro-5-hydroxy-3H-benz(e)indol-3-yl)oxoacetyl)amino)ethyl)(2,4'-bithiazol)-4-yl)carbonyl)amino)propyl)dimethyl-, iodide, (S)-

Registry Numbers

CAS Registry Number

  • 188637-89-0

System Generated Number

  • 0188637890

Structure Descriptors

InChI

1S/C29H30ClN5O4S3.HI/c1-42(2)11-5-9-31-26(37)20-15-41-28(34-20)21-16-40-24(33-21)8-10-32-27(38)29(39)35-14-17(13-30)25-19-7-4-3-6-18(19)23(36)12-22(25)35;/h3-4,6-7,12,15-17H,5,8-11,13-14H2,1-2H3,(H2-,31,32,36,37,38);1H

InChIKey

YUOAWJWYVKOXCX-UHFFFAOYSA-N

Smiles

[S+](C)(C)CCCNC(=O)c1nc(sc1)c1nc(sc1)CCNC(=O)C(=O)N1C[C@@H](c2c3c(c(cc12)O)cccc3)CCl.[IH-]