methyl (2S)-2-[[(2S)-4-methylsulfanyl-2-phenylazanyl-butanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-4-methylsulfanyl-2-phenylazanyl-butanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-2-anilino-4-methylsulfanyl-butanoyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-anilino-4-(methylthio)-1-oxobutyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-anilino-4-methylsulfanylbutanoyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-2-anilino-4-(methylthio)butanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCSC)NC2=CC=CC=C2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CCSC)NC2=CC=CC=C2

InChI

InChI=1S/C21H26N2O3S/c1-26-21(25)19(15-16-9-5-3-6-10-16)23-20(24)18(13-14-27-2)22-17-11-7-4-8-12-17/h3-12,18-19,22H,13-15H2,1-2H3,(H,23,24)/t18-,19-/m0/s1