2-azanyl-N-[4-[bis[4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]phenyl]methyl]phenyl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-azanyl-N-[4-[bis[4-[(2-azanyl-4-methylsulfanyl-butanoyl)amino]phenyl]methyl]phenyl]-4-methylsulfanyl-butanamide Openeye Name: 2-amino-N-[4-[bis[4-[(2-amino-4-methylsulfanyl-butanoyl)amino]phenyl]methyl]phenyl]-4-methylsulfanyl-butanamide CAS Name: 2-amino-N-[4-[bis[4-[[2-amino-4-(methylthio)-1-oxobutyl]amino]phenyl]methyl]phenyl]-4-(methylthio)butanamide IUPAC Name: 2-amino-N-[4-[bis[4-[(2-amino-4-methylsulfanylbutanoyl)amino]phenyl]methyl]phenyl]-4-methylsulfanylbutanamide Traditional Name: 2-amino-N-[4-[bis[4-[[2-amino-4-(methylthio)butanoyl]amino]phenyl]methyl]phenyl]-4-(methylthio)butyramide Formula: C34H46N6O3S3 MolecularWeight: 682.96244

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC1=CC=C(C=C1)C(C2=CC=C(C=C2)NC(=O)C(CCSC)N)C3=CC=C(C=C3)NC(=O)C(CCSC)N)N

Isomeric SMILES

CSCCC(C(=O)NC1=CC=C(C=C1)C(C2=CC=C(C=C2)NC(=O)C(CCSC)N)C3=CC=C(C=C3)NC(=O)C(CCSC)N)N

InChI

InChI=1S/C34H46N6O3S3/c1-44-19-16-28(35)32(41)38-25-10-4-22(5-11-25)31(23-6-12-26(13-7-23)39-33(42)29(36)17-20-45-2)24-8-14-27(15-9-24)40-34(43)30(37)18-21-46-3/h4-15,28-31H,16-21,35-37H2,1-3H3,(H,38,41)(H,39,42)(H,40,43)