2-[[2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanyl-butanoyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[4-methylsulfanyl-2-(m-tolylcarbamoylamino)butanoyl]anilino)acetic acid CAS Name: 2-(N-[2-[[(3-methylanilino)-oxomethyl]amino]-4-(methylthio)-1-oxobutyl]anilino)acetic acid IUPAC Name: 2-(N-[2-[(3-methylphenyl)carbamoylamino]-4-methylsulfanylbutanoyl]anilino)acetic acid Traditional Name: 2-(N-[4-(methylthio)-2-(m-tolylcarbamoylamino)butanoyl]anilino)acetic acid Formula: C21H25N3O4S MolecularWeight: 415.5059

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)NC(CCSC)C(=O)N(CC(=O)O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)NC(CCSC)C(=O)N(CC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S/c1-15-7-6-8-16(13-15)22-21(28)23-18(11-12-29-2)20(27)24(14-19(25)26)17-9-4-3-5-10-17/h3-10,13,18H,11-12,14H2,1-2H3,(H,25,26)(H2,22,23,28)