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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC3CCC4=C(C3)SC(=N4)N

Isomeric SMILES

C1CC(N(C1)C(=O)C(CC2=CC=CC=C2)N)C(=O)NC3CCC4=C(C3)SC(=N4)N

InChI

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