(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
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(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
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CAS No:
73385-60-1
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Formula:
C30H39N7O9S
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Chemical Name:
(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide
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Synonyms:
Tyrosyl-methionyl-glycyl-4-nitrophenylalanyl-prolinamide S-oxide; Nifalatide;
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CAS No:
(2S)-1-[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfinylbutanoyl]amino]acetyl]amino]-3-(4-nitrophenyl)propanoyl]pyrrolidine-2-carboxamide Basic Attributes
673.73700
673.25299702
Computed Properties
Molecular Weight:673.7
XLogP3:-0.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:15
Exact Mass:673.25299702
Monoisotopic Mass:673.25299702
Topological Polar Surface Area:279
Heavy Atom Count:47
Complexity:1150
Defined Atom Stereocenter Count:4
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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CN
7 YRS
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