(2S)-2-[bis[(butoxycarbonylamino)methyl]amino]-5-[bis[(butoxycarbonylamino)methyl]carbamoylamino]pentanoic acid
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![(2S)-2-[bis[(butoxycarbonylamino)methyl]amino]-5-[bis[(butoxycarbonylamino)methyl]carbamoylamino]pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/ff3eec4002ff4276ad83eb1abcae897b.png "(2S)-2-[bis[(butoxycarbonylamino)methyl]amino]-5-[bis[(butoxycarbonylamino)methyl]carbamoylamino]pentanoic acid")
(2S)-2-[bis[(butoxycarbonylamino)methyl]amino]-5-[bis[(butoxycarbonylamino)methyl]carbamoylamino]pentanoic acid
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CAS No:
65132-74-3
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Formula:
C30H57N7O11
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Chemical Name:
(2S)-2-[bis[(butoxycarbonylamino)methyl]amino]-5-[bis[(butoxycarbonylamino)methyl]carbamoylamino]pentanoic acid
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Synonyms:
2,8-di-N-bis(n-butyloxycarbonylaminomethyl)-L-citrulline;A 924;A-924;A 924;65132-74-3;A-924;(S)-4,11-Bis(((butoxycarbonyl)amino)methyl)-10-carboxy-5-oxo-2,4,6,11,13-pentaazatetradecanedioic acid, 1,14-dibutyl ester;2,8-Di-N-bis(n-butyloxycarbonylaminomethyl)-L-citrulline;DTXSID00215450
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CAS No:
(2S)-2-[bis[(butoxycarbonylamino)methyl]amino]-5-[bis[(butoxycarbonylamino)methyl]carbamoylamino]pentanoic acid Basic Attributes
691.8 g/mol
691.41160566 g/mol
DTXSID00215450
Computed Properties
Molecular Weight:691.8
XLogP3:1.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:30
Exact Mass:691.41160566
Monoisotopic Mass:691.41160566
Topological Polar Surface Area:226
Heavy Atom Count:48
Complexity:891
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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