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(2S)-3-(6-chloranyl-1H-indol-3-yl)-2-formamido-propanoic acid hydrate

(2S)-3-(6-chloranyl-1H-indol-3-yl)-2-formamido-propanoic acid hydrate

Systemtic Name:(2S)-3-(6-chloranyl-1H-indol-3-yl)-2-formamido-propanoic acid hydrate
Openeye Name:(2S)-3-(6-chloro-1H-indol-3-yl)-2-formamido-propanoic acid hydrate
CAS Name:(2S)-3-(6-chloro-1H-indol-3-yl)-2-formamidopropanoic acid hydrate
IUPAC Name:(2S)-3-(6-chloro-1H-indol-3-yl)-2-formamidopropanoic acid hydrate
Traditional Name:(2S)-3-(6-chloro-1H-indol-3-yl)-2-formamido-propionic acid hydrate
Formula: C12H13ClN2O4
MolecularWeight: 284.69562
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1Cl)NC=C2CC(C(=O)O)NC=O.O


Isomeric SMILES

C1=CC2=C(C=C1Cl)NC=C2C[C@@H](C(=O)O)NC=O.O


InChI

InChI=1S/C12H11ClN2O3.H2O/c13-8-1-2-9-7(5-14-10(9)4-8)3-11(12(17)18)15-6-16;/h1-2,4-6,11,14H,3H2,(H,15,16)(H,17,18);1H2/t11-;/m0./s1


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