Carbamic acid,[(1S)-2-(6-nitro-1H-benzotriazol-1-yl)-1-(phenylmethyl)-2-thioxoethyl]-,1,1-dimethylethyl ester(9ci)

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Catalog Number
ACM184951879
Product Name
Carbamic acid,[(1S)-2-(6-nitro-1H-benzotriazol-1-yl)-1-(phenylmethyl)-2-thioxoethyl]-,1,1-dimethylethyl ester(9ci)
Structure
Structure
CAS
184951-87-9
Category
Heterocyclic Organic Compound
Synonyms
Boc-ThionoPhe-1-(6-nitro)benzotriazolide, 184951-87-9, PubChem10341, AKOS015912263, FT-0603890, I14-36133
IUPAC Name
tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-3-phenyl-1-sulfanylidenepropan-2-yl]carbamate
Molecular Weight
427.48
Molecular Formula
C20H21N5O4S
Canonical SMILES
CC(C)(C)OC(=O)NC(CC1=CC=CC=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2
InChI Key
VETHVWLHXKQIRS-INIZCTEOSA-N
Exact Mass
427.13100
H-Bond Acceptor
7
H-Bond Donor
1
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