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

Systemtic Name: (2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-3-mercapto-2-[[(2S)-4-methyl-1-oxo-2-(phenylmethoxycarbonylamino)pentyl]amino]propanoic acid IUPAC Name: (2R)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-mercapto-propionic acid Formula: C17H24N2O5S MolecularWeight: 368.44786

Click to see the large picture

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)/t13-,14-/m0/s1