2-[1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl (2S,4S)-pentanoate

CAS Registry Number®

98983-21-2

CAS Name

2-[1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl (2S,4S)-pentanoate

Molecular Formula

C39H43NO12

Molecular Mass

717.76

Cite this Page

2-[1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl (2S,4S)-pentanoate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=98983-21-2 (retrieved 2024-11-21) (CAS RN: 98983-21-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C39H43NO12/c1-4-5-14-28(42)50-19-27(41)39(48)16-23-31(38(47)33-32(36(23)45)35(44)22-12-9-13-25(49-3)30(22)37(33)46)26(17-39)52-29-15-24(34(43)20(2)51-29)40-18-21-10-7-6-8-11-21/h6-13,20,24,26,29,34,40,43,45,47-48H,4-5,14-19H2,1-3H3/t20-,24-,26-,29-,34+,39-/m0/s1

InChIKey

InChIKey=IUKSGXMOHXEUJY-YWVRLZQXSA-N

SMILES

OC=1C2=C([C@@H](O[C@H]3C[C@H](NCC4=CC=CC=C4)[C@H](O)[C@H](C)O3)C[C@@](C(COC(CCCC)=O)=O)(O)C2)C(O)=C5C1C(=O)C=6C(C5=O)=C(OC)C=CC6

Canonical SMILES

O=C(OCC(=O)C1(O)CC2=C(O)C=3C(=O)C=4C=CC=C(OC)C4C(=O)C3C(O)=C2C(OC5OC(C)C(O)C(NCC=6C=CC=CC6)C5)C1)CCCC

Other Names for this Substance

  • Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S,4S)-
  • Pentanoic acid, 2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester, (2S-cis)-
  • 2-[1,2,3,4,6,11-Hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(phenylmethyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl (2S,4S)-pentanoate
  • AD 198
  • N-Benzyladriamycin-14-valerate

Deleted or Replaced CAS Registry Numbers

99759-62-3

CAS INSIGHTSTM
Targeted protein degrader structure, illustration