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(2S)-3-methyl-2-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoylamino]butanoate
(2S)-3-methyl-2-[3-[methyl(2-pyridin-4-ylethyl)azaniumyl]propanoylamino]butanoate
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Descriptors Computed from Structure
Canonical SMILES:
CC(C)C(C(=O)[O-])NC(=O)CC[NH+](C)CCC1=CC=NC=C1
Isomeric SMILES
CC(C)[C@@H](C(=O)[O-])NC(=O)CC[NH+](C)CCC1=CC=NC=C1
InChI
InChI=1S/C16H25N3O3/c1-12(2)15(16(21)22)18-14(20)7-11-19(3)10-6-13-4-8-17-9-5-13/h4-5,8-9,12,15H,6-7,10-11H2,1-3H3,(H,18,20)(H,21,22)/t15-/m0/s1
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- 2-hydroxyethyl-[[3-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]azanium
- (2S)-3-methyl-2-[3-[methyl(2-pyridin-4-ylethyl)amino]propanoylamino]butanoic acid
- 2-[[3-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]methylamino]ethanol
- 2-hydroxyethyl-methyl-[2-(4-piperazin-4-ium-1-ylcarbonylphenoxy)ethyl]azanium
- 2-hydroxyethyl-[[4-methoxy-3-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]azanium
- [4-[2-[2-hydroxyethyl(methyl)amino]ethoxy]phenyl]-piperazin-1-yl-methanone
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- 2-hydroxyethyl-[[4-methoxy-2-(2-piperidin-1-ium-1-ylethoxy)phenyl]methyl]azanium
- 2-[[4-methoxy-2-(2-piperidin-1-ylethoxy)phenyl]methylamino]ethanol
- (2S)-2-[[(2S)-3-methyl-2-[methyl(2-pyridin-4-ylethyl)azaniumyl]butanoyl]amino]propanoate
