2-[2-(2-azanylpropanoylamino)propanoylamino]-N-(4-nitrophenyl)-3-phenyl-propanamide

Systemtic Name: 2-[2-(2-azanylpropanoylamino)propanoylamino]-N-(4-nitrophenyl)-3-phenyl-propanamide Openeye Name: 2-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-nitrophenyl)-3-phenyl-propanamide CAS Name: 2-[[2-[(2-amino-1-oxopropyl)amino]-1-oxopropyl]amino]-N-(4-nitrophenyl)-3-phenylpropanamide IUPAC Name: 2-[2-(2-aminopropanoylamino)propanoylamino]-N-(4-nitrophenyl)-3-phenylpropanamide Traditional Name: 2-[2-(alanylamino)propanoylamino]-N-(4-nitrophenyl)-3-phenyl-propionamide Formula: C21H25N5O5 MolecularWeight: 427.4537

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])N

InChI

InChI=1S/C21H25N5O5/c1-13(22)19(27)23-14(2)20(28)25-18(12-15-6-4-3-5-7-15)21(29)24-16-8-10-17(11-9-16)26(30)31/h3-11,13-14,18H,12,22H2,1-2H3,(H,23,27)(H,24,29)(H,25,28)