2-azanyl-6-(2-azanyl-3-phenyl-propanoyl)-3-methyl-4-pyrrolidin-2-yl-benzenecarboximidamide

Systemtic Name: 2-azanyl-6-(2-azanyl-3-phenyl-propanoyl)-3-methyl-4-pyrrolidin-2-yl-benzenecarboximidamide Openeye Name: 2-amino-6-(2-amino-3-phenyl-propanoyl)-3-methyl-4-pyrrolidin-2-yl-benzamidine CAS Name: 2-amino-6-(2-amino-1-oxo-3-phenylpropyl)-3-methyl-4-(2-pyrrolidinyl)benzenecarboximidamide IUPAC Name: 2-amino-6-(2-amino-3-phenylpropanoyl)-3-methyl-4-pyrrolidin-2-ylbenzenecarboximidamide Traditional Name: 2-amino-3-methyl-6-phenylalanyl-4-pyrrolidin-2-yl-benzamidine Formula: C21H27N5O MolecularWeight: 365.47198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1N)C(=N)N)C(=O)C(CC2=CC=CC=C2)N)C3CCCN3

Isomeric SMILES

CC1=C(C=C(C(=C1N)C(=N)N)C(=O)C(CC2=CC=CC=C2)N)C3CCCN3

InChI

InChI=1S/C21H27N5O/c1-12-14(17-8-5-9-26-17)11-15(18(19(12)23)21(24)25)20(27)16(22)10-13-6-3-2-4-7-13/h2-4,6-7,11,16-17,26H,5,8-10,22-23H2,1H3,(H3,24,25)