methyl 5-[bis(azanyl)methylideneamino]-2-[2-(sulfanylmethyl)hexanoylamino]pentanoate

Systemtic Name: methyl 5-[bis(azanyl)methylideneamino]-2-[2-(sulfanylmethyl)hexanoylamino]pentanoate Openeye Name: methyl 5-guanidino-2-[2-(sulfanylmethyl)hexanoylamino]pentanoate CAS Name: 5-(diaminomethylideneamino)-2-[[2-(mercaptomethyl)-1-oxohexyl]amino]pentanoic acid methyl ester IUPAC Name: methyl 5-(diaminomethylideneamino)-2-[2-(sulfanylmethyl)hexanoylamino]pentanoate Traditional Name: 5-guanidino-2-[2-(mercaptomethyl)hexanoylamino]valeric acid methyl ester Formula: C14H28N4O3S MolecularWeight: 332.46212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CS)C(=O)NC(CCCN=C(N)N)C(=O)OC

Isomeric SMILES

CCCCC(CS)C(=O)NC(CCCN=C(N)N)C(=O)OC

InChI

InChI=1S/C14H28N4O3S/c1-3-4-6-10(9-22)12(19)18-11(13(20)21-2)7-5-8-17-14(15)16/h10-11,22H,3-9H2,1-2H3,(H,18,19)(H4,15,16,17)