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(2R)-2-azanyl-2-(2-chloranyl-5-oxidanyl-phenyl)ethanoic acid

Systemtic Name:	(2R)-2-azanyl-2-(2-chloranyl-5-oxidanyl-phenyl)ethanoic acid
Openeye Name:	(2R)-2-amino-2-(2-chloro-5-hydroxy-phenyl)acetic acid
CAS Name:	(2R)-2-amino-2-(2-chloro-5-hydroxyphenyl)acetic acid
IUPAC Name:	(2R)-2-amino-2-(2-chloro-5-hydroxyphenyl)acetic acid
Traditional Name:	(2R)-2-amino-2-(2-chloro-5-hydroxy-phenyl)acetic acid
Formula:	C₈H₈ClNO₃
MolecularWeight:	201.60702

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1O)C(C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=C(C=C1O)[C@H](C(=O)O)N)Cl

InChI

InChI=1S/C8H8ClNO3/c9-6-2-1-4(11)3-5(6)7(10)8(12)13/h1-3,7,11H,10H2,(H,12,13)/t7-/m1/s1

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(3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3S)-6-azanyl-3-[[(3S)-3-[[(3R,4R)-4-azanylpiperidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]hexanoyl]amino]piperidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]hexanedioic acid
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(3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3S)-6-azanyl-3-[[(3S)-3-[[(3R,4R)-4-azanylpiperidin-3-yl]carbonylamino]-5-methyl-hexanoyl]amino]hexanoyl]amino]cyclohexyl]carbonylamino]-5-methyl-hexanoyl]amino]hexanedioic acid
(3S)-3-[[(3S)-3-[[(1R,2R)-2-[[(3S)-6-azanyl-3-[[(3R)-3-[[(1R,2R)-2-azanylcyclohexyl]carbonylamino]-4-oxidanyl-butanoyl]amino]hexanoyl]amino]cyclohexyl]carbonylamino]-5-methyl-hexanoyl]amino]hexanedioic acid
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(3S)-3-[[(3S)-3-[[(3R,4R)-4-[[(3R)-3-[[(3S)-3-[[(1R,2R)-2-azanylcyclohexyl]carbonylamino]-5-methyl-hexanoyl]amino]-4-methyl-pentanoyl]amino]piperidin-3-yl]carbonylamino]-4-phenyl-butanoyl]amino]hexanedioic acid
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