[(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl] N-(4-methoxyphenyl)carbamate

Systemtic Name: [(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxidanylidene-ethyl]amino]-1-adamantyl] N-(4-methoxyphenyl)carbamate Openeye Name: [(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxo-ethyl]amino]-1-adamantyl] N-(4-methoxyphenyl)carbamate CAS Name: N-(4-methoxyphenyl)carbamic acid [(5S,7R)-3-[[2-[(2S)-2-cyano-1-pyrrolidinyl]-2-oxoethyl]amino]-1-adamantyl] ester IUPAC Name: [(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidin-1-yl]-2-oxoethyl]amino]-1-adamantyl] N-(4-methoxyphenyl)carbamate Traditional Name: N-(4-methoxyphenyl)carbamic acid [(5S,7R)-3-[[2-[(2S)-2-cyanopyrrolidino]-2-keto-ethyl]amino]-1-adamantyl] ester Formula: C25H32N4O4 MolecularWeight: 452.54598

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC(=O)OC23CC4CC(C2)CC(C4)(C3)NCC(=O)N5CCCC5C#N

Isomeric SMILES

COC1=CC=C(C=C1)NC(=O)OC23C[C@@H]4C[C@H](C2)CC(C4)(C3)NCC(=O)N5CCC[C@H]5C#N

InChI

InChI=1S/C25H32N4O4/c1-32-21-6-4-19(5-7-21)28-23(31)33-25-12-17-9-18(13-25)11-24(10-17,16-25)27-15-22(30)29-8-2-3-20(29)14-26/h4-7,17-18,20,27H,2-3,8-13,15-16H2,1H3,(H,28,31)/t17-,18+,20-,24?,25?/m0/s1