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
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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.xH2OCite 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 ) (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)-
