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(2S)-2-[cyclohexyl-[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanoic acid

(2S)-2-[cyclohexyl-[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanoic acid

Systemtic Name:(2S)-2-[cyclohexyl-[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanoic acid
Openeye Name:(2S)-2-[cyclohexyl-[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propanoic acid
CAS Name:(2S)-2-[cyclohexyl-[2-(methylamino)-6-(1-pyrrolyl)-4-pyrimidinyl]amino]propanoic acid
IUPAC Name:(2S)-2-[cyclohexyl-[2-(methylamino)-6-pyrrol-1-ylpyrimidin-4-yl]amino]propanoic acid
Traditional Name:(2S)-2-[cyclohexyl-[2-(methylamino)-6-pyrrol-1-yl-pyrimidin-4-yl]amino]propionic acid
Formula: C18H25N5O2
MolecularWeight: 343.4234
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1CCCCC1)C2=NC(=NC(=C2)N3C=CC=C3)NC


Isomeric SMILES

C[C@@H](C(=O)O)N(C1CCCCC1)C2=NC(=NC(=C2)N3C=CC=C3)NC


InChI

InChI=1S/C18H25N5O2/c1-13(17(24)25)23(14-8-4-3-5-9-14)16-12-15(20-18(19-2)21-16)22-10-6-7-11-22/h6-7,10-14H,3-5,8-9H2,1-2H3,(H,24,25)(H,19,20,21)/t13-/m0/s1


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