(2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-azanyl-3-(4-iodophenyl)propan-1-one

Systemtic Name: (2S)-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-2-azanyl-3-(4-iodophenyl)propan-1-one Openeye Name: (2S)-2-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-(4-iodophenyl)propan-1-one CAS Name: (2S)-2-amino-1-[(2S)-2-(aminomethyl)-1-pyrrolidinyl]-3-(4-iodophenyl)-1-propanone IUPAC Name: (2S)-2-amino-1-[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-3-(4-iodophenyl)propan-1-one Traditional Name: (2S)-2-amino-1-[(2S)-2-(aminomethyl)pyrrolidino]-3-(4-iodophenyl)propan-1-one Formula: C14H20IN3O MolecularWeight: 373.23257

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)I)N)CN

Isomeric SMILES

C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)I)N)CN

InChI

InChI=1S/C14H20IN3O/c15-11-5-3-10(4-6-11)8-13(17)14(19)18-7-1-2-12(18)9-16/h3-6,12-13H,1-2,7-9,16-17H2/t12-,13-/m0/s1