4-(2-azanylethanoylamino)-N-[1-(1,3-benzothiazol-2-yl)-3-phenyl-propyl]pyrrolidine-2-carboxamide

Systemtic Name: 4-(2-azanylethanoylamino)-N-[1-(1,3-benzothiazol-2-yl)-3-phenyl-propyl]pyrrolidine-2-carboxamide Openeye Name: 4-[(2-aminoacetyl)amino]-N-[1-(1,3-benzothiazol-2-yl)-3-phenyl-propyl]pyrrolidine-2-carboxamide CAS Name: 4-[(2-amino-1-oxoethyl)amino]-N-[1-(1,3-benzothiazol-2-yl)-3-phenylpropyl]-2-pyrrolidinecarboxamide IUPAC Name: 4-[(2-aminoacetyl)amino]-N-[1-(1,3-benzothiazol-2-yl)-3-phenylpropyl]pyrrolidine-2-carboxamide Traditional Name: N-[1-(1,3-benzothiazol-2-yl)-3-phenyl-propyl]-4-(glycylamino)pyrrolidine-2-carboxamide Formula: C23H27N5O2S MolecularWeight: 437.55778

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)NC(=O)CN

Isomeric SMILES

C1C(CNC1C(=O)NC(CCC2=CC=CC=C2)C3=NC4=CC=CC=C4S3)NC(=O)CN

InChI

InChI=1S/C23H27N5O2S/c24-13-21(29)26-16-12-19(25-14-16)22(30)27-18(11-10-15-6-2-1-3-7-15)23-28-17-8-4-5-9-20(17)31-23/h1-9,16,18-19,25H,10-14,24H2,(H,26,29)(H,27,30)