(2S)-4-methyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methylsulfanyl-butanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-4-methyl-2-[[(2S)-4-(methylthio)-1-oxo-2-(phenylmethoxycarbonylamino)butyl]amino]pentanoic acid IUPAC Name: (2S)-4-methyl-2-[[(2S)-4-methylsulfanyl-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoic acid Traditional Name: (2S)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-(methylthio)butanoyl]amino]-4-methyl-valeric acid Formula: C19H28N2O5S MolecularWeight: 396.50102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O5S/c1-13(2)11-16(18(23)24)20-17(22)15(9-10-27-3)21-19(25)26-12-14-7-5-4-6-8-14/h4-8,13,15-16H,9-12H2,1-3H3,(H,20,22)(H,21,25)(H,23,24)/t15-,16-/m0/s1