ethyl 2-[(2-acetamido-3-sulfanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoate

Systemtic Name: ethyl 2-[(2-acetamido-3-sulfanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoate Openeye Name: ethyl 2-[(2-acetamido-3-sulfanyl-propanoyl)amino]-5-guanidino-pentanoate CAS Name: 2-[(2-acetamido-3-mercapto-1-oxopropyl)amino]-5-(diaminomethylideneamino)pentanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-acetamido-3-sulfanylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoate Traditional Name: 2-[(2-acetamido-3-mercapto-propanoyl)amino]-5-guanidino-valeric acid ethyl ester Formula: C13H25N5O4S MolecularWeight: 347.4337

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CCCN=C(N)N)NC(=O)C(CS)NC(=O)C

InChI

InChI=1S/C13H25N5O4S/c1-3-22-12(21)9(5-4-6-16-13(14)15)18-11(20)10(7-23)17-8(2)19/h9-10,23H,3-7H2,1-2H3,(H,17,19)(H,18,20)(H4,14,15,16)