2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoic acid

Systemtic Name: 2-[(2-azanyl-3-sulfanyl-propanoyl)amino]-5-[bis(azanyl)methylideneamino]pentanoic acid Openeye Name: 2-[(2-amino-3-sulfanyl-propanoyl)amino]-5-guanidino-pentanoic acid CAS Name: 2-[(2-amino-3-mercapto-1-oxopropyl)amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 2-[(2-amino-3-sulfanylpropanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[(2-amino-3-mercapto-propanoyl)amino]-5-guanidino-valeric acid Formula: C9H19N5O3S MolecularWeight: 277.34386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C(CC(C(=O)O)NC(=O)C(CS)N)CN=C(N)N

Isomeric SMILES

C(CC(C(=O)O)NC(=O)C(CS)N)CN=C(N)N

InChI

InChI=1S/C9H19N5O3S/c10-5(4-18)7(15)14-6(8(16)17)2-1-3-13-9(11)12/h5-6,18H,1-4,10H2,(H,14,15)(H,16,17)(H4,11,12,13)