ethyl (2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoate chloride

Systemtic Name: ethyl (2S)-2-benzamido-5-[bis(azanyl)methylideneamino]pentanoate chloride Openeye Name: ethyl (2S)-2-benzamido-5-guanidino-pentanoate chloride CAS Name: (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoic acid ethyl ester chloride IUPAC Name: ethyl (2S)-2-benzamido-5-(diaminomethylideneamino)pentanoate chloride Traditional Name: (2S)-2-benzamido-5-guanidino-valeric acid ethyl ester chloride Formula: C15H22ClN4O3- MolecularWeight: 341.81318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCOC(=O)[C@H](CCCN=C(N)N)NC(=O)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C15H22N4O3.ClH/c1-2-22-14(21)12(9-6-10-18-15(16)17)19-13(20)11-7-4-3-5-8-11;/h3-5,7-8,12H,2,6,9-10H2,1H3,(H,19,20)(H4,16,17,18);1H/p-1/t12-;/m0./s1