Azinomycin B

CAS Registry Number®

106486-76-4
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CAS Name

Azinomycin B

Molecular Formula

C31H33N3O11

Molecular Mass

623.61

Cite this Page

Azinomycin B.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=106486-76-4 (retrieved 2024-04-25) (CAS RN: 106486-76-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    207 °C (decomp)

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C31H33N3O11/c1-14-7-6-8-18-19(14)9-17(42-5)10-20(18)30(41)45-27(31(4)13-43-31)29(40)33-23(28(39)32-21(12-35)15(2)36)24-26(44-16(3)37)25(38)22-11-34(22)24/h6-10,12,22,25-27,35,38H,11,13H2,1-5H3,(H,32,39)(H,33,40)/b21-12-,24-23+/t22-,25+,26+,27+,31-,34?/m0/s1

InChIKey

InChIKey=QIKVYJOCQXXRSJ-PKDLRSQSSA-N

SMILES

C(\NC([C@@H](OC(=O)C=1C2=C(C=C(OC)C1)C(C)=CC=C2)[C@]3(C)CO3)=O)(/C(N/C(/C(C)=O)=C\O)=O)=C\4/N5[C@@](C5)([C@@H](O)[C@@H]4OC(C)=O)[H]

Canonical SMILES

O=C(OC(C(=O)NC(C(=O)NC(=CO)C(=O)C)=C1N2CC2C(O)C1OC(=O)C)C3(OC3)C)C=4C=C(OC)C=C5C4C=CC=C5C

Other Names for this Substance

  • 1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, (1S)-2-[[(1E)-1-[(3R,4R,5S)-3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[[(1Z)-1-(hydroxymethylene)-2-oxopropyl]amino]-2-oxoethyl]amino]-1-[(2S)-2-methyloxiranyl]-2-oxoethyl ester
  • 1-Naphthalenecarboxylic acid, 3-methoxy-5-methyl-, 2-[[1-[3-(acetyloxy)-4-hydroxy-1-azabicyclo[3.1.0]hex-2-ylidene]-2-[[1-(hydroxymethylene)-2-oxopropyl]amino]-2-oxoethyl]amino]-1-(2-methyloxiranyl)-2-oxoethyl ester, [3R-[2E[1[S*(S*)],2(E)],3α,4β,5α]]-
  • 1-Azabicyclo[3.1.0]hexane, 1-naphthalenecarboxylic acid deriv.
  • Azinomycin B
  • Carzinophilin A

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Deleted or Replaced CAS Registry Numbers

1403-26-5, 1403-29-8, 1403-28-7, 81553-83-5

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