N-(2-azanyl-3-phenyl-propanoyl)-N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide

Systemtic Name: N-(2-azanyl-3-phenyl-propanoyl)-N-(2-azanyl-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Openeye Name: N-(2-amino-3-phenyl-propanoyl)-N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide CAS Name: N-(2-amino-1-oxo-3-phenylpropyl)-N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-2-pyrrolidinecarboxamide IUPAC Name: N-(2-amino-3-phenylpropanoyl)-N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)pyrrolidine-2-carboxamide Traditional Name: N-(2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl)-N-phenylalanyl-pyrrolidine-2-carboxamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)N(C2CCC3=C(C2)SC(=N3)N)C(=O)C(CC4=CC=CC=C4)N

Isomeric SMILES

C1CC(NC1)C(=O)N(C2CCC3=C(C2)SC(=N3)N)C(=O)C(CC4=CC=CC=C4)N

InChI

InChI=1S/C21H27N5O2S/c22-15(11-13-5-2-1-3-6-13)19(27)26(20(28)17-7-4-10-24-17)14-8-9-16-18(12-14)29-21(23)25-16/h1-3,5-6,14-15,17,24H,4,7-12,22H2,(H2,23,25)