(2S)-2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate

Systemtic Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate Openeye Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[(4-butylanilino)-oxomethyl]amino]-4-(methylthio)butanoate IUPAC Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[(4-butylphenyl)carbamoylamino]-4-(methylthio)butyrate Formula: C16H23N2O3S- MolecularWeight: 323.43042

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)NC(CCSC)C(=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N[C@@H](CCSC)C(=O)[O-]

InChI

InChI=1S/C16H24N2O3S/c1-3-4-5-12-6-8-13(9-7-12)17-16(21)18-14(15(19)20)10-11-22-2/h6-9,14H,3-5,10-11H2,1-2H3,(H,19,20)(H2,17,18,21)/p-1/t14-/m0/s1