(phenylmethyl) (2S)-2-(6-azanyl-6-azanylidene-hexanoyl)pyrrolidine-1-carboxylate

Systemtic Name: (phenylmethyl) (2S)-2-(6-azanyl-6-azanylidene-hexanoyl)pyrrolidine-1-carboxylate Openeye Name: benzyl (2S)-2-(6-amino-6-imino-hexanoyl)pyrrolidine-1-carboxylate CAS Name: (2S)-2-(6-amino-6-imino-1-oxohexyl)-1-pyrrolidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (2S)-2-(6-amino-6-iminohexanoyl)pyrrolidine-1-carboxylate Traditional Name: (2S)-2-(6-amino-6-imino-hexanoyl)pyrrolidine-1-carboxylic acid benzyl ester Formula: C18H25N3O3 MolecularWeight: 331.4094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CCCCC(=N)N

Isomeric SMILES

C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)CCCCC(=N)N

InChI

InChI=1S/C18H25N3O3/c19-17(20)11-5-4-10-16(22)15-9-6-12-21(15)18(23)24-13-14-7-2-1-3-8-14/h1-3,7-8,15H,4-6,9-13H2,(H3,19,20)/t15-/m0/s1