methyl (2S)-2-[[(2S,3S,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenylmethoxy-oxan-2-yl]carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl (2S)-2-[[(2S,3S,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenylmethoxy-oxan-2-yl]carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: methyl (2S)-2-[[(2S,3S,6R)-3-benzyloxy-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-carbonyl]amino]-4-methylsulfanyl-butanoate CAS Name: (2S)-2-[[[(2S,3S,6R)-6-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]-3-phenylmethoxy-2-oxanyl]-oxomethyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[(2S,3S,6R)-6-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-3-phenylmethoxyoxane-2-carbonyl]amino]-4-methylsulfanylbutanoate Traditional Name: (2S)-2-[[(2S,3S,6R)-3-benzoxy-6-[(tert-butoxycarbonylamino)methyl]tetrahydropyran-2-carbonyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C25H38N2O7S MolecularWeight: 510.64342

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1CCC(C(O1)C(=O)NC(CCSC)C(=O)OC)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([C@H](O1)C(=O)N[C@@H](CCSC)C(=O)OC)OCC2=CC=CC=C2

InChI

InChI=1S/C25H38N2O7S/c1-25(2,3)34-24(30)26-15-18-11-12-20(32-16-17-9-7-6-8-10-17)21(33-18)22(28)27-19(13-14-35-5)23(29)31-4/h6-10,18-21H,11-16H2,1-5H3,(H,26,30)(H,27,28)/t18-,19+,20+,21+/m1/s1