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2-azanyl-4-methylsulfanyl-2-[2-[4-[(pyridin-2-ylamino)methyl]phenyl]phenyl]carbonyl-butanoic acid

2-azanyl-4-methylsulfanyl-2-[2-[4-[(pyridin-2-ylamino)methyl]phenyl]phenyl]carbonyl-butanoic acid

Systemtic Name:2-azanyl-4-methylsulfanyl-2-[2-[4-[(pyridin-2-ylamino)methyl]phenyl]phenyl]carbonyl-butanoic acid
Openeye Name:2-amino-4-methylsulfanyl-2-[2-[4-[(2-pyridylamino)methyl]phenyl]benzoyl]butanoic acid
CAS Name:2-amino-4-(methylthio)-2-[oxo-[2-[4-[(2-pyridinylamino)methyl]phenyl]phenyl]methyl]butanoic acid
IUPAC Name:2-amino-4-methylsulfanyl-2-[2-[4-[(pyridin-2-ylamino)methyl]phenyl]benzoyl]butanoic acid
Traditional Name:2-amino-4-(methylthio)-2-[2-[4-[(2-pyridylamino)methyl]phenyl]benzoyl]butyric acid
Formula: C24H25N3O3S
MolecularWeight: 435.5386
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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=CC=CC=N3)(C(=O)O)N


Isomeric SMILES

CSCCC(C(=O)C1=CC=CC=C1C2=CC=C(C=C2)CNC3=CC=CC=N3)(C(=O)O)N


InChI

InChI=1S/C24H25N3O3S/c1-31-15-13-24(25,23(29)30)22(28)20-7-3-2-6-19(20)18-11-9-17(10-12-18)16-27-21-8-4-5-14-26-21/h2-12,14H,13,15-16,25H2,1H3,(H,26,27)(H,29,30)


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