3-[2-[4-[bis(azanyl)methylideneamino]butanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-[2-[4-[bis(azanyl)methylideneamino]butanoylamino]phenyl]sulfanyl-3-pyridin-3-yl-propanoic acid Openeye Name: 3-[2-(4-guanidinobutanoylamino)phenyl]sulfanyl-3-(3-pyridyl)propanoic acid CAS Name: 3-[[2-[[4-(diaminomethylideneamino)-1-oxobutyl]amino]phenyl]thio]-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-[2-[4-(diaminomethylideneamino)butanoylamino]phenyl]sulfanyl-3-pyridin-3-ylpropanoic acid Traditional Name: 3-[[2-(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=C(C(=C1)NC(=O)CCCN=C(N)N)SC(CC(=O)O)C2=CN=CC=C2

Isomeric SMILES

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

InChI

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