A-101
(2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid
Molecular Identity
A-101
(2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acid
PubChem CID: 188218
2D Structure
Properties
C18H19N3O5
Molecular Formula
357.40
Molecular Weight
g/mol
357.1325
Exact Mass
Da
-0.1
XLogP
Drug-like (Lipinski: < 5)
124
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
6
H-Bond Acceptors
480
Complexity
SMILES
Canonical SMILES
SMILES: C1=CC=C(C=C1)CC(=O)NCNC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OIsomeric SMILES
SMILES: C1=CC=C(C=C1)CC(=O)NCN[C@@H](CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)OSynonyms(12)
A-101A-101 SolutionRefChem:914822A-101 Topical SolutionN-Phenylacetoaminomethylene-DL-p-nitrophenylalanine70172-42-8(2S)-3-(4-nitrophenyl)-2-[[(2-phenylacetyl)amino]methylamino]propanoic acidDTXSID20990414MALANEHOOMRDSZ-INIZCTEOSA-NDL-Phenylalanine, 4-nitro-N-(((phenylacetyl)amino)methyl)-N-{[(1-Hydroxy-2-phenylethylidene)amino]methyl}-4-nitro-L-phenylalanineN-{[(1-Hydroxy-2-phenylethylidene)amino]methyl}-4-nitrophenylalanine
Data from PubChem (NCBI)
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