(2R)-5-[bis(azanyl)methylideneazaniumyl]-2-[(phenylmethyl)carbamothioylamino]pentanoate

Systemtic Name: (2R)-5-[bis(azanyl)methylideneazaniumyl]-2-[(phenylmethyl)carbamothioylamino]pentanoate Openeye Name: (2R)-2-(benzylcarbamothioylamino)-5-(diaminomethyleneammonio)pentanoate CAS Name: (2R)-5-(diaminomethylideneammonio)-2-[[[(phenylmethyl)amino]-sulfanylidenemethyl]amino]pentanoate IUPAC Name: (2R)-2-(benzylcarbamothioylamino)-5-(diaminomethylideneazaniumyl)pentanoate Traditional Name: (2R)-2-(benzylthiocarbamoylamino)-5-(diaminomethyleneammonio)valerate Formula: C14H21N5O2S MolecularWeight: 323.41384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=S)NC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CNC(=S)N[C@H](CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C14H21N5O2S/c15-13(16)17-8-4-7-11(12(20)21)19-14(22)18-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,20,21)(H4,15,16,17)(H2,18,19,22)/t11-/m1/s1