1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, hydrate (1:?), (2S,3aR,7aS)-

CAS Registry Number®

951393-57-0

CAS Name

1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, hydrate (1:?), (2S,3aR,7aS)-

Molecular Formula

C22H30N2O5.xH2O

Cite this Page

1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, hydrate (1:?), (2S,3aR,7aS)-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=951393-57-0 (retrieved 2024-11-21) (CAS RN: 951393-57-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H30N2O5.H2O/c1-14(23-17(21(26)27)12-11-15-7-3-2-4-8-15)20(25)24-18-10-6-5-9-16(18)13-19(24)22(28)29;/h2-4,7-8,14,16-19,23H,5-6,9-13H2,1H3,(H,26,27)(H,28,29);1H2/t14-,16+,17-,18-,19-;/m0./s1

InChIKey

InChIKey=RCVUTQVXMHPLKS-CNTNIUBLSA-N

SMILES

C([C@@H](N[C@@H](CCC1=CC=CC=C1)C(O)=O)C)(=O)N2[C@@]3([C@@](C[C@H]2C(O)=O)(CCCC3)[H])[H].O

Canonical SMILES

O=C(O)C(NC(C(=O)N1C(C(=O)O)CC2CCCCC12)C)CCC=3C=CC=CC3.O

Other Names for this Substance

  • 1H-Indole-2-carboxylic acid, 1-[(2S)-2-[[(1S)-1-carboxy-3-phenylpropyl]amino]-1-oxopropyl]octahydro-, hydrate (1:?), (2S,3aR,7aS)-

CAS INSIGHTSTM
Targeted protein degrader structure, illustration