(S)-2-tert-Butoxycarbonylamino-3-(2-nitro-benzenesulfonylamino)-propionic acid

HCID 57775887
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Basic information

Standard SMILES
CC(C)(C)OC(=O)N[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])C(=O)O
InChIKey
GFWANCIGIDNJCL-VIFPVBQESA-N
Molecular formula
C14H19N3O8S
Average molar mass
389.38 g/mol

Names & identifiers

Preferred name
(S)-2-tert-Butoxycarbonylamino-3-(2-nitro-benzenesulfonylamino)-propionic acid
IUPAC
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(2-nitrophenyl)sulfonylamino]propanoic acid

Names & synonyms

SCHEMBL1067233SCHEMBL7525866GFWANCIGIDNJCL-VIFPVBQESA-N(S)-2-tert-Butoxycarbonylamino-3-(2-nitro-benzenesulfonylamino)-propionic acid

Database identifiers

PubChem CID
57775887

Properties

Computed structural properties

XLogP
1
Topological polar surface area
176 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
9
Rotatable bonds
8
Heavy atoms
26

Related reactions

2 records
New reaction record

Compound notes

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