(2S)-2-(2-azanylethanoylamino)-N-(2-azanylethyl)-3-(4-nitrophenyl)propanamide

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-N-(2-azanylethyl)-3-(4-nitrophenyl)propanamide Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide CAS Name: (2S)-N-(2-aminoethyl)-2-[(2-amino-1-oxoethyl)amino]-3-(4-nitrophenyl)propanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-N-(2-aminoethyl)-3-(4-nitrophenyl)propanamide Traditional Name: (2S)-N-(2-aminoethyl)-2-(glycylamino)-3-(4-nitrophenyl)propionamide Formula: C13H19N5O4 MolecularWeight: 309.32106

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NCCN)NC(=O)CN)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NCCN)NC(=O)CN)[N+](=O)[O-]

InChI

InChI=1S/C13H19N5O4/c14-5-6-16-13(20)11(17-12(19)8-15)7-9-1-3-10(4-2-9)18(21)22/h1-4,11H,5-8,14-15H2,(H,16,20)(H,17,19)/t11-/m0/s1