2-[[5-[bis(azanyl)methylideneamino]-2-(thiophen-2-ylamino)pentanoyl]-methyl-amino]ethanoate

Systemtic Name: 2-[[5-[bis(azanyl)methylideneamino]-2-(thiophen-2-ylamino)pentanoyl]-methyl-amino]ethanoate Openeye Name: 2-[[5-guanidino-2-(2-thienylamino)pentanoyl]-methyl-amino]acetate CAS Name: 2-[[5-(diaminomethylideneamino)-1-oxo-2-(thiophen-2-ylamino)pentyl]-methylamino]acetate IUPAC Name: 2-[[5-(diaminomethylideneamino)-2-(thiophen-2-ylamino)pentanoyl]-methylamino]acetate Traditional Name: 2-[[5-guanidino-2-(2-thienylamino)pentanoyl]-methyl-amino]acetate Formula: C13H20N5O3S- MolecularWeight: 326.3946

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)[O-])C(=O)C(CCCN=C(N)N)NC1=CC=CS1

Isomeric SMILES

CN(CC(=O)[O-])C(=O)C(CCCN=C(N)N)NC1=CC=CS1

InChI

InChI=1S/C13H21N5O3S/c1-18(8-11(19)20)12(21)9(4-2-6-16-13(14)15)17-10-5-3-7-22-10/h3,5,7,9,17H,2,4,6,8H2,1H3,(H,19,20)(H4,14,15,16)/p-1