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

Systemtic Name: 5-[bis(azanyl)methylideneamino]-2-(phenylcarbamothioylamino)pentanoic acid Openeye Name: 5-guanidino-2-(phenylcarbamothioylamino)pentanoic acid CAS Name: 2-[[anilino(sulfanylidene)methyl]amino]-5-(diaminomethylideneamino)pentanoic acid IUPAC Name: 5-(diaminomethylideneamino)-2-(phenylcarbamothioylamino)pentanoic acid Traditional Name: 5-guanidino-2-(phenylthiocarbamoylamino)valeric acid Formula: C13H19N5O2S MolecularWeight: 309.38726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N5O2S/c14-12(15)16-8-4-7-10(11(19)20)18-13(21)17-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8H2,(H,19,20)(H4,14,15,16)(H2,17,18,21)