(2S)-2-(2-azanylethanoylamino)-3-(4-iodophenyl)-N-(2-oxidanylideneethyl)propanamide

Systemtic Name: (2S)-2-(2-azanylethanoylamino)-3-(4-iodophenyl)-N-(2-oxidanylideneethyl)propanamide Openeye Name: (2S)-2-[(2-aminoacetyl)amino]-3-(4-iodophenyl)-N-(2-oxoethyl)propanamide CAS Name: (2S)-2-[(2-amino-1-oxoethyl)amino]-3-(4-iodophenyl)-N-(2-oxoethyl)propanamide IUPAC Name: (2S)-2-[(2-aminoacetyl)amino]-3-(4-iodophenyl)-N-(2-oxoethyl)propanamide Traditional Name: (2S)-2-(glycylamino)-3-(4-iodophenyl)-N-(2-ketoethyl)propionamide Formula: C13H16IN3O3 MolecularWeight: 389.18891

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C(=O)NCC=O)NC(=O)CN)I

Isomeric SMILES

C1=CC(=CC=C1C[C@@H](C(=O)NCC=O)NC(=O)CN)I

InChI

InChI=1S/C13H16IN3O3/c14-10-3-1-9(2-4-10)7-11(17-12(19)8-15)13(20)16-5-6-18/h1-4,6,11H,5,7-8,15H2,(H,16,20)(H,17,19)/t11-/m0/s1