(2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanyl-propanoate

Systemtic Name: (2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanyl-propanoate Openeye Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoate CAS Name: (2R)-3-mercapto-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoate IUPAC Name: (2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanylpropanoate Traditional Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-mercapto-propionate Formula: C17H23N2O5S- MolecularWeight: 367.43992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NC(CS)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(C)C[C@@H](C(=O)N[C@@H](CS)C(=O)[O-])NC(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C17H24N2O5S/c1-11(2)8-13(15(20)18-14(10-25)16(21)22)19-17(23)24-9-12-6-4-3-5-7-12/h3-7,11,13-14,25H,8-10H2,1-2H3,(H,18,20)(H,19,23)(H,21,22)/p-1/t13-,14-/m0/s1