BQ 788

CAS Registry Number®

156161-89-6
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CAS Name

BQ 788

Molecular Formula

C34H51N5O7.Na

Cite this Page

BQ 788.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=156161-89-6 (retrieved 2021-09-25) (CAS RN: 156161-89-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H51N5O7.Na/c1-8-9-16-25(31(42)43)35-29(40)26(18-23-20-38(33(45)46-7)28-17-11-10-15-24(23)28)36-30(41)27(19-34(4,5)6)37-32(44)39-21(2)13-12-14-22(39)3;/h10-11,15,17,20-22,25-27H,8-9,12-14,16,18-19H2,1-7H3,(H,35,40)(H,36,41)(H,37,44)(H,42,43);/t21-,22+,25-,26-,27+;/m1./s1

InChIKey

InChIKey=IASLQTYUGYPLFB-FUKQNADPSA-N

SMILES

C([C@@H](NC([C@@H](NC(=O)N1[C@@H](C)CCC[C@H]1C)CC(C)(C)C)=O)C(N[C@H](CCCC)C(O)=O)=O)C=2C=3C(N(C(OC)=O)C2)=CC=CC3.[Na]

Canonical SMILES

[Na].O=C(OC)N1C=C(C=2C=CC=CC21)CC(NC(=O)C(NC(=O)N3C(C)CCCC3C)CC(C)(C)C)C(=O)NC(C(=O)O)CCCC

Other Names for this Substance

  • D-Norleucine, N-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl]-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, sodium salt (1:1)
  • D-Norleucine, N-[N-[N-[(2,6-dimethyl-1-piperidinyl)carbonyl]-4-methyl-L-leucyl]-1-(methoxycarbonyl)-D-tryptophyl]-, monosodium salt, cis-
  • D-Norleucine, N-[[(2R,6S)-2,6-dimethyl-1-piperidinyl]carbonyl]-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, monosodium salt
  • BQ 788
  • D-Norleucine, N-[(cis-2,6-dimethyl-1-piperidinyl)carbonyl]-4-methyl-L-leucyl-1-(methoxycarbonyl)-D-tryptophyl-, monosodium salt

Deleted or Replaced CAS Registry Numbers

1135396-91-6