5-[bis(azanyl)methylideneamino]-2-[(phenylmethylsulfanyl)carbothioylamino]pentanoic acid

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-[(phenylmethylsulfanyl)carbothioylamino]pentanoic acid Openeye Name: 2-(benzylsulfanylcarbothioylamino)-5-guanidino-pentanoic acid CAS Name: 5-(diaminomethylideneamino)-2-[[(phenylmethylthio)-sulfanylidenemethyl]amino]pentanoic acid IUPAC Name: 2-(benzylsulfanylcarbothioylamino)-5-(diaminomethylideneamino)pentanoic acid Traditional Name: 2-[(benzylthio)carbothioylamino]-5-guanidino-valeric acid Formula: C14H20N4O2S2 MolecularWeight: 340.4642

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC(=S)NC(CCCN=C(N)N)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CSC(=S)NC(CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C14H20N4O2S2/c15-13(16)17-8-4-7-11(12(19)20)18-14(21)22-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,18,21)(H,19,20)(H4,15,16,17)