[[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate
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![[[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/05583be3ce4b485899d194f2688827be.png "[[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate")
[[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate
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CAS No:
109378-49-6
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Formula:
C33H36BrN3O6
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Chemical Name:
[[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate
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Synonyms:
4-aminomethylcyclohexanecarbonyl-O-2-bromobenzyloxycarbonyltyrosine 4-acetylanilide;H-Tra-Tyr(2-Br-Z)-4-acetylanilide;trans-4-(aminomethyl)cyclohexanecarbonyl-O-(2-bromobenzyloxycarbonyl)tyrosine 4-acetylanilide;109378-49-6;H-Tra-tyr(2-Br-Z)-4-acetylanilide;4-Aminomethylcyclohexanecarbonyl-O-2-bromobenzyloxycarbonyltyrosine 4-acetylanilide;DTXSID20911149;trans-4-(Aminomethyl)cyclohexanecarbonyl-O-(2-bromobenzyloxycarbonyl)tyrosine 4-acetylanilide;N-[1-(4-Acetylanilino)-3-{3-bromo-4-[(carboxyoxy)(phenyl)methyl]phenyl}-1-oxopropan-2-yl]-4-(aminomethyl)cyclohexane-1-carboximidic acid
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CAS No:
[[4-[(2S)-3-(4-acetylanilino)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-oxopropyl]-2-bromophenyl]-phenylmethyl] hydrogen carbonate Basic Attributes
650.6 g/mol
649.17875 g/mol
Drug Information
4-aminomethylcyclohexanecarbonyl-O-2-bromobenzyloxycarbonyltyrosine 4-acetylanilide
Computed Properties
Molecular Weight:650.6
XLogP3:2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:12
Exact Mass:649.17875
Monoisotopic Mass:649.17875
Topological Polar Surface Area:148
Heavy Atom Count:43
Complexity:943
Defined Atom Stereocenter Count:1
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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