methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanethioyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxy-propanethioyl]amino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[(2S)-3-benzyloxy-2-(tert-butoxycarbonylamino)propanethioyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[(2S)-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylmethoxy-1-sulfanylidenepropyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanethioyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[(2S)-3-benzoxy-2-(tert-butoxycarbonylamino)propanethioyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H32N2O5S MolecularWeight: 472.59698

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(COCC1=CC=CC=C1)C(=S)NC(CC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H](COCC1=CC=CC=C1)C(=S)N[C@@H](CC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C25H32N2O5S/c1-25(2,3)32-24(29)27-21(17-31-16-19-13-9-6-10-14-19)22(33)26-20(23(28)30-4)15-18-11-7-5-8-12-18/h5-14,20-21H,15-17H2,1-4H3,(H,26,33)(H,27,29)/t20-,21-/m0/s1