O1-methyl O4-(phenylmethyl) (2S)-2-(2-adamantyloxycarbonylamino)-2-(1H-indol-3-ylmethyl)butanedioate

Systemtic Name: O1-methyl O4-(phenylmethyl) (2S)-2-(2-adamantyloxycarbonylamino)-2-(1H-indol-3-ylmethyl)butanedioate Openeye Name: O4-benzyl O1-methyl (2S)-2-(2-adamantyloxycarbonylamino)-2-(1H-indol-3-ylmethyl)butanedioate CAS Name: (2S)-2-[[2-adamantyloxy(oxo)methyl]amino]-2-(1H-indol-3-ylmethyl)butanedioic acid O1-methyl ester O4-(phenylmethyl) ester IUPAC Name: 4-O-benzyl 1-O-methyl (2S)-2-(2-adamantyloxycarbonylamino)-2-(1H-indol-3-ylmethyl)butanedioate Traditional Name: (2S)-2-(2-adamantyloxycarbonylamino)-2-(1H-indol-3-ylmethyl)succinic acid O4-benzyl ester O1-methyl ester Formula: C32H36N2O6 MolecularWeight: 544.63804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)(CC(=O)OCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

COC(=O)[C@](CC1=CNC2=CC=CC=C21)(CC(=O)OCC3=CC=CC=C3)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C32H36N2O6/c1-38-30(36)32(16-25-18-33-27-10-6-5-9-26(25)27,17-28(35)39-19-20-7-3-2-4-8-20)34-31(37)40-29-23-12-21-11-22(14-23)15-24(29)13-21/h2-10,18,21-24,29,33H,11-17,19H2,1H3,(H,34,37)/t21?,22?,23?,24?,29?,32-/m0/s1