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N,N′-[(1S)-1-[(4-Isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]

N,N′-[(1S)-1-[(4-Isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine] structure

CAS No:
94344-71-5
Formula:
C18H21N3O8S
Chemical Name:
N,N′-[(1S)-1-[(4-Isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]
Synonyms:
Glycine,N,N′-[(1S)-1-[(4-isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-;Glycine,N,N′-[1-[(4-isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)-,(S)-;N,N′-[(1S)-1-[(4-Isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine];CITC;158692-49-0

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N,N′-[(1S)-1-[(4-Isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine] Basic Attributes

Molecular Weight：

439.4 g/mol

Exact Mass：

439.44

Characteristics

PSA：

200 Å²

Drug Information

MeSH Entry Terms：

4-(2,3-bis(bis(carboxymethylamino))propyl)phenyl isothiocyanate

Computed Properties

Molecular Weight:439.4
XLogP3:-2.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:14
Exact Mass:439.10493581
Monoisotopic Mass:439.10493581
Topological Polar Surface Area:200
Heavy Atom Count:30
Complexity:642
Defined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N,N′-[(1S)-1-[(4-Isothiocyanatophenyl)methyl]-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]

Basic Attributes
Characteristics
Drug Information
Computed Properties

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