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

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

Systemtic Name:2-azanyl-5-[bis(azanyl)methylideneamino]-2-(phenylcarbamothioyl)pentanoic acid
Openeye Name:2-amino-5-guanidino-2-(phenylcarbamothioyl)pentanoic acid
CAS Name:2-amino-2-[anilino(sulfanylidene)methyl]-5-(diaminomethylideneamino)pentanoic acid
IUPAC Name:2-amino-5-(diaminomethylideneamino)-2-(phenylcarbamothioyl)pentanoic acid
Traditional Name:2-amino-5-guanidino-2-(phenylthiocarbamoyl)valeric acid
Formula: C13H19N5O2S
MolecularWeight: 309.38726
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

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


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