BGC 945

CAS Registry Number®

501332-69-0
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CAS Name

BGC 945

Molecular Formula

C32H33N5O10

Molecular Mass

647.63

Cite this Page

BGC 945.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=501332-69-0 (retrieved 2024-04-24) (CAS RN: 501332-69-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C32H33N5O10/c1-2-13-37(25-10-5-18-14-24-21(15-20(18)25)30(43)36-26(16-38)33-24)19-6-3-17(4-7-19)29(42)35-23(32(46)47)8-11-27(39)34-22(31(44)45)9-12-28(40)41/h1,3-4,6-7,14-15,22-23,25,38H,5,8-13,16H2,(H,34,39)(H,35,42)(H,40,41)(H,44,45)(H,46,47)(H,33,36,43)/t22-,23+,25+/m1/s1

InChIKey

InChIKey=NVHRBQOZEMFKLD-CUYJMHBOSA-N

SMILES

N(CC#C)([C@@H]1C=2C(=CC3=C(C2)C(=O)N=C(CO)N3)CC1)C4=CC=C(C(N[C@@H](CCC(N[C@H](CCC(O)=O)C(O)=O)=O)C(O)=O)=O)C=C4

Canonical SMILES

O=C(O)CCC(NC(=O)CCC(NC(=O)C1=CC=C(C=C1)N(CC#C)C2C3=CC=4C(=O)N=C(NC4C=C3CC2)CO)C(=O)O)C(=O)O

Other Names for this Substance

  • D-Glutamic acid, N-[4-[2-propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-
  • D-Glutamic acid, N-[4-[2-propynyl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-1H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-
  • N-[4-[2-Propyn-1-yl[(6S)-4,6,7,8-tetrahydro-2-(hydroxymethyl)-4-oxo-3H-cyclopenta[g]quinazolin-6-yl]amino]benzoyl]-L-γ-glutamyl-D-glutamic acid
  • CB 300945 (S)
  • BGC 945

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Deleted or Replaced CAS Registry Numbers

1356166-41-0

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