(2S)-2-azanyl-N-[2-(2-azanylethanoylamino)ethyl]-3-(4-nitrophenyl)propanamide

Systemtic Name: (2S)-2-azanyl-N-[2-(2-azanylethanoylamino)ethyl]-3-(4-nitrophenyl)propanamide Openeye Name: (2S)-2-amino-N-[2-[(2-aminoacetyl)amino]ethyl]-3-(4-nitrophenyl)propanamide CAS Name: (2S)-2-amino-N-[2-[(2-amino-1-oxoethyl)amino]ethyl]-3-(4-nitrophenyl)propanamide IUPAC Name: (2S)-2-amino-N-[2-[(2-aminoacetyl)amino]ethyl]-3-(4-nitrophenyl)propanamide Traditional Name: (2S)-2-amino-N-[2-(glycylamino)ethyl]-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)NCCNC(=O)CN)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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