3-[3-[4-[bis(azanyl)methylideneamino]butanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[3-[4-[bis(azanyl)methylideneamino]butanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[3-(4-guanidinobutanoylamino)phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[3-[[4-(diaminomethylideneamino)-1-oxobutyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[3-[4-(diaminomethylideneamino)butanoylamino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[3-(4-guanidinobutanoylamino)phenyl]thio]-3-(3-pyridyl)propionic acid Formula: C19H23N5O3S MolecularWeight: 401.48262

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N5O3S/c20-19(21)23-9-3-7-17(25)24-14-5-1-6-15(10-14)28-16(11-18(26)27)13-4-2-8-22-12-13/h1-2,4-6,8,10,12,16H,3,7,9,11H2,(H,24,25)(H,26,27)(H4,20,21,23)