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

Systemtic Name: 3-[3-[2-[bis(azanyl)methylideneamino]ethanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-[(2-guanidinoacetyl)amino]phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[2-(diaminomethylideneamino)-1-oxoethyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[[2-(diaminomethylideneamino)acetyl]amino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-[(2-guanidinoacetyl)amino]phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C17H19N5O3S MolecularWeight: 373.42946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5O3S/c18-17(19)21-10-15(23)22-12-4-1-5-13(7-12)26-14(8-16(24)25)11-3-2-6-20-9-11/h1-7,9,14H,8,10H2,(H,22,23)(H,24,25)(H4,18,19,21)