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

Systemtic Name: (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanyl-butanoic acid Openeye Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-methylsulfanyl-butanoic acid CAS Name: (2S)-2-[[3-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]-4-(methylthio)butanoic acid IUPAC Name: (2S)-2-[[3-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: (2S)-2-[[2-(benzyloxycarbonylamino)-3-methyl-pentanoyl]amino]-4-(methylthio)butyric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-4-13(2)16(17(22)20-15(18(23)24)10-11-27-3)21-19(25)26-12-14-8-6-5-7-9-14/h5-9,13,15-16H,4,10-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)/t13?,15-,16?/m0/s1