methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C20H30N2O5S MolecularWeight: 410.5276

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CCC(C)C(C(=O)N[C@@H](CCSC)C(=O)OC)NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C20H30N2O5S/c1-5-14(2)17(18(23)21-16(11-12-28-4)19(24)26-3)22-20(25)27-13-15-9-7-6-8-10-15/h6-10,14,16-17H,5,11-13H2,1-4H3,(H,21,23)(H,22,25)/t14?,16-,17?/m0/s1