(2S)-4-(Acetylamino)-2-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]butanoic acid

CAS Registry Number®

1022904-20-6

CAS Name

(2S)-4-(Acetylamino)-2-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]butanoic acid

Molecular Formula

C23H32N2O6

Molecular Mass

432.51

Cite this Page

(2S)-4-(Acetylamino)-2-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]butanoic acid.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1022904-20-6 (retrieved 2024-11-12) (CAS RN: 1022904-20-6).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C23H32N2O6/c1-13(26)24-9-6-15(20(29)30)25-18(28)5-7-21(2)17(27)4-8-23-11-14-10-16(19(21)23)31-22(14,3)12-23/h4,8,14-16,19H,5-7,9-12H2,1-3H3,(H,24,26)(H,25,28)(H,29,30)/t14-,15+,16+,19+,21-,22+,23+/m1/s1

InChIKey

InChIKey=DFUHBSQGPGWPQE-UBSGIXRYSA-N

SMILES

C(CC(N[C@@H](CCNC(C)=O)C(O)=O)=O)[C@@]1(C)[C@]2([C@]3(C[C@@]4([C@](C)(C3)O[C@]2(C4)[H])[H])C=CC1=O)[H]

Canonical SMILES

O=C(O)C(NC(=O)CCC1(C(=O)C=CC23CC4CC(OC4(C)C2)C31)C)CCNC(=O)C

Other Names for this Substance

  • Butanoic acid, 4-(acetylamino)-2-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]-, (2S)-
  • (2S)-4-(Acetylamino)-2-[[3-[(1S,3S,4S,5aS,9S,9aR)-1,4,5,8,9,9a-hexahydro-3,9-dimethyl-8-oxo-3H-1,4:3,5a-dimethano-2-benzoxepin-9-yl]-1-oxopropyl]amino]butanoic acid
  • Platensimide A

CAS INSIGHTSTM
Abstract Background of Blurry Golden Particles