(4-nitrophenyl) 2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]ethanoate hydrobromide

Systemtic Name: (4-nitrophenyl) 2-[[2-(2-azanylethanoylamino)-3-oxidanyl-propanoyl]amino]ethanoate hydrobromide Openeye Name: (4-nitrophenyl) 2-[[2-[(2-aminoacetyl)amino]-3-hydroxy-propanoyl]amino]acetate hydrobromide CAS Name: 2-[[2-[(2-amino-1-oxoethyl)amino]-3-hydroxy-1-oxopropyl]amino]acetic acid (4-nitrophenyl) ester hydrobromide IUPAC Name: (4-nitrophenyl) 2-[[2-[(2-aminoacetyl)amino]-3-hydroxypropanoyl]amino]acetate hydrobromide Traditional Name: 2-[[2-(glycylamino)-3-hydroxy-propanoyl]amino]acetic acid (4-nitrophenyl) ester hydrobromide Formula: C13H17BrN4O7 MolecularWeight: 421.20068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CNC(=O)C(CO)NC(=O)CN.Br

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])OC(=O)CNC(=O)C(CO)NC(=O)CN.Br

InChI

InChI=1S/C13H16N4O7.BrH/c14-5-11(19)16-10(7-18)13(21)15-6-12(20)24-9-3-1-8(2-4-9)17(22)23;/h1-4,10,18H,5-7,14H2,(H,15,21)(H,16,19);1H