2-azanyl-5-[bis(azanyl)methylideneamino]-2-phenyl-3-pyrrolidin-2-ylcarbonyl-pentanoic acid

Systemtic Name: 2-azanyl-5-[bis(azanyl)methylideneamino]-2-phenyl-3-pyrrolidin-2-ylcarbonyl-pentanoic acid Openeye Name: 2-amino-5-guanidino-2-phenyl-3-(pyrrolidine-2-carbonyl)pentanoic acid CAS Name: 2-amino-5-(diaminomethylideneamino)-3-[oxo(2-pyrrolidinyl)methyl]-2-phenylpentanoic acid IUPAC Name: 2-amino-5-(diaminomethylideneamino)-2-phenyl-3-(pyrrolidine-2-carbonyl)pentanoic acid Traditional Name: 2-amino-5-guanidino-2-phenyl-3-prolyl-valeric acid Formula: C17H25N5O3 MolecularWeight: 347.4121

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C(=O)C(CCN=C(N)N)C(C2=CC=CC=C2)(C(=O)O)N

Isomeric SMILES

C1CC(NC1)C(=O)C(CCN=C(N)N)C(C2=CC=CC=C2)(C(=O)O)N

InChI

InChI=1S/C17H25N5O3/c18-16(19)22-10-8-12(14(23)13-7-4-9-21-13)17(20,15(24)25)11-5-2-1-3-6-11/h1-3,5-6,12-13,21H,4,7-10,20H2,(H,24,25)(H4,18,19,22)