(2S)-3-[(3S)-4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butan-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: (2S)-3-[(3S)-4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxidanylidene-butan-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: (2S)-2-(benzyloxycarbonylamino)-3-[(2S)-2-(tert-butoxycarbonylamino)-3-methoxy-1,1-dimethyl-3-oxo-propyl]sulfanyl-propanoic acid CAS Name: (2S)-3-[[(3S)-4-methoxy-2-methyl-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-oxobutan-2-yl]thio]-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: (2S)-3-[(3S)-4-methoxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxobutan-2-yl]sulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: (2S)-2-(benzyloxycarbonylamino)-3-[[(2S)-2-(tert-butoxycarbonylamino)-3-keto-3-methoxy-1,1-dimethyl-propyl]thio]propionic acid Formula: C22H32N2O8S MolecularWeight: 484.56308

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(C(=O)OC)C(C)(C)SCC(C(=O)O)NC(=O)OCC1=CC=CC=C1

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O8S/c1-21(2,3)32-20(29)24-16(18(27)30-6)22(4,5)33-13-15(17(25)26)23-19(28)31-12-14-10-8-7-9-11-14/h7-11,15-16H,12-13H2,1-6H3,(H,23,28)(H,24,29)(H,25,26)/t15-,16+/m1/s1