2,5-Dioxo-1-pyrrolidinyl 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoate

CAS Registry Number®

1818294-35-7
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CAS Name

2,5-Dioxo-1-pyrrolidinyl 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoate

Molecular Formula

C40H45N3O15S

Molecular Mass

839.86

Cite this Page

2,5-Dioxo-1-pyrrolidinyl 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1818294-35-7 (retrieved 2024-09-10) (CAS RN: 1818294-35-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H45N3O15S/c44-27-2-5-31-33(24-27)56-34-25-28(45)3-6-32(34)40(31)30-4-1-26(23-29(30)38(49)57-40)42-39(59)41-10-12-51-14-16-53-18-20-55-22-21-54-19-17-52-15-13-50-11-9-37(48)58-43-35(46)7-8-36(43)47/h1-6,23-25,44-45H,7-22H2,(H2,41,42,59)

InChIKey

InChIKey=JRSZEPYWIPLVEA-UHFFFAOYSA-N

SMILES

O=C1OC2(C=3C1=CC(NC(NCCOCCOCCOCCOCCOCCOCCC(ON4C(=O)CCC4=O)=O)=S)=CC3)C=5C(OC=6C2=CC=C(O)C6)=CC(O)=CC5

Canonical SMILES

O=C1OC2(C3=CC=C(O)C=C3OC4=CC(O)=CC=C42)C5=CC=C(C=C15)NC(=S)NCCOCCOCCOCCOCCOCCOCCC(=O)ON6C(=O)CCC6=O

Other Names for this Substance

  • 4,7,10,13,16,19-Hexaoxa-22-azatricosanoic acid, 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-, 2,5-dioxo-1-pyrrolidinyl ester
  • 2,5-Dioxo-1-pyrrolidinyl 23-[(3′,6′-dihydroxy-3-oxospiro[isobenzofuran-1(3H),9′-[9H]xanthen]-5-yl)amino]-23-thioxo-4,7,10,13,16,19-hexaoxa-22-azatricosanoate