3-[2-[3-[bis(azanyl)methylideneamino]propanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[3-[bis(azanyl)methylideneamino]propanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[2-(3-guanidinopropanoylamino)phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[3-(diaminomethylideneamino)-1-oxopropyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[3-(diaminomethylideneamino)propanoylamino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-(3-guanidinopropanoylamino)phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)NC(=O)CCN=C(N)N)SC(CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

C1=CC=C(C(=C1)NC(=O)CCN=C(N)N)SC(CC(=O)O)C2=CN=CC=C2

InChI

InChI=1S/C18H21N5O3S/c19-18(20)22-9-7-16(24)23-13-5-1-2-6-14(13)27-15(10-17(25)26)12-4-3-8-21-11-12/h1-6,8,11,15H,7,9-10H2,(H,23,24)(H,25,26)(H4,19,20,22)