(-)-Kaitocephalin

CAS Registry Number®

198710-92-8

CAS Name

(-)-Kaitocephalin

Molecular Formula

C18H21Cl2N3O9

Molecular Mass

494.28

Cite this Page

(-)-Kaitocephalin.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=198710-92-8 (retrieved 2024-11-22) (CAS RN: 198710-92-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C18H21Cl2N3O9/c19-8-3-6(4-9(20)12(8)24)14(26)22-10(15(27)28)5-7-1-2-18(23-7,17(31)32)13(25)11(21)16(29)30/h3-4,7,10-11,13,23-25H,1-2,5,21H2,(H,22,26)(H,27,28)(H,29,30)(H,31,32)/t7-,10+,11-,13+,18-/m1/s1

InChIKey

InChIKey=AJQRDRIPQOAJCM-BWOKQULHSA-N

SMILES

[C@@H]([C@H](C(O)=O)N)(O)[C@]1(C(O)=O)N[C@@H](C[C@H](NC(=O)C2=CC(Cl)=C(O)C(Cl)=C2)C(O)=O)CC1

Canonical SMILES

O=C(O)C(N)C(O)C1(NC(CC1)CC(NC(=O)C2=CC(Cl)=C(O)C(Cl)=C2)C(=O)O)C(=O)O

Other Names for this Substance

  • 2,5-Pyrrolidinedipropanoic acid, α2-amino-2-carboxy-α5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-β2-hydroxy-, (α2R,α5S,β2S,2R,5R)-
  • (α2R,α5S,β2S,2R,5R)-α2-Amino-2-carboxy-α5-[(3,5-dichloro-4-hydroxybenzoyl)amino]-β2-hydroxy-2,5-pyrrolidinedipropanoic acid
  • Kaitocephalin
  • PF 1191
  • (-)-Kaitocephalin