4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate
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![4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/086fb7ab071b48689430e15c51f3b602.png "4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate")
4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate
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CAS No:
13574-80-6
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Formula:
C21H21N3O9
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Chemical Name:
4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate
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Synonyms:
13574-80-6;NSC118444;4-methyl 1-(4-nitrophenyl) n-[(benzyloxy)carbonyl]glycylaspartate;DTXSID30297840;NSC-118444
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CAS No:
4-O-methyl 1-O-(4-nitrophenyl) 2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]butanedioate Basic Attributes
459.4 g/mol
459.12777926 g/mol
118444
DTXSID30297840
Computed Properties
Molecular Weight:459.4
XLogP3:2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:12
Exact Mass:459.12777926
Monoisotopic Mass:459.12777926
Topological Polar Surface Area:166
Heavy Atom Count:33
Complexity:696
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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