(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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CAS No:
138228-38-3
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Formula:
C27H38N8O5
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Chemical Name:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide
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Synonyms:
TAPA-beta;Tyr-Arg-Phe-beta-Ala-NH2;tyrosyl-arginyl-phenylalanyl-beta-alaninamide;CHEMBL22321;Tapa-beta;138228-38-3;Tyr-arg-phe-beta-ala-NH2;Tyrosyl-arginyl-phenylalanyl-beta-alaninamide;L-Tyrosyl-D-arginyl-L-phenylalanyl-beta-alaninamide;beta-Alaninamide, L-tyrosyl-D-arginyl-L-phenylalanyl-;DTXSID20930032;BDBM50125998;(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide;(R)-2-[(S)-2-Amino-3-(4-hydroxy-phenyl)-propionylamino]-5-guanidino-pentanoic acid [(S)-1-(2-carbamoyl-ethylcarbamoyl)-2-phenyl-ethyl]-amide;2-{[2-Amino-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino}-5-carbamimidamido-N-{1-hydroxy-1-[(3-hydroxy-3-iminopropyl)imino]-3-phenylpropan-2-yl}pentanimidic acid
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CAS No:
(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-N-[(2S)-1-[(3-amino-3-oxopropyl)amino]-1-oxo-3-phenylpropan-2-yl]-5-(diaminomethylideneamino)pentanamide Basic Attributes
554.6 g/mol
554.29651634 g/mol
Computed Properties
Molecular Weight:554.6
XLogP3:-1
Hydrogen Bond Donor Count:8
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:16
Exact Mass:554.29651634
Monoisotopic Mass:554.29651634
Topological Polar Surface Area:241
Heavy Atom Count:40
Complexity:852
Defined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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