(2S)-6-amino-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[2-(3-methanimidoylphenyl)acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanamide
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(2S)-6-amino-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[2-(3-methanimidoylphenyl)acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanamide
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CAS No:
111010-99-2
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Formula:
C39H47N7O6
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Chemical Name:
(2S)-6-amino-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[2-(3-methanimidoylphenyl)acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanamide
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Synonyms:
cyclic-PTLT-3-AMPA;cyclo(Phe-Trp-Lys-Thr-3-AMPA);cyclo-(phenylalanyl-tryptophyl-lysyl-threonyl-3-(aminomethyl)phenylacetic acid);Cyclic-ptlt-3-ampa;Cyclo(phe-trp-lys-thr-3-ampa);(2S)-6-amino-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[2-(3-methanimidoylphenyl)acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanamide;111010-99-2;Cyclo-(phenylalanyl-tryptophyl-lysyl-threonyl-3-(aminomethyl)phenylacetic acid)
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CAS No:
(2S)-6-amino-N-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-2-[[(2R)-3-(1H-indol-3-yl)-2-[[(2S)-2-[[2-(3-methanimidoylphenyl)acetyl]amino]-3-phenylpropanoyl]amino]propanoyl]amino]hexanamide Basic Attributes
709.8 g/mol
709.35878224 g/mol
Computed Properties
Molecular Weight:709.8
XLogP3:2.3
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:20
Exact Mass:709.35878224
Monoisotopic Mass:709.35878224
Topological Polar Surface Area:219
Heavy Atom Count:52
Complexity:1180
Defined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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