1,3-bis(1-adamantylcarbonylamino)propan-2-yl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate

Systemtic Name: 1,3-bis(1-adamantylcarbonylamino)propan-2-yl 2-[[2-(ethanoylsulfanylmethyl)-3-phenyl-propanoyl]amino]ethanoate Openeye Name: [2-(adamantane-1-carbonylamino)-1-[(adamantane-1-carbonylamino)methyl]ethyl] 2-[[2-(acetylsulfanylmethyl)-3-phenyl-propanoyl]amino]acetate CAS Name: 2-[[2-[(acetylthio)methyl]-1-oxo-3-phenylpropyl]amino]acetic acid 1,3-bis[[1-adamantyl(oxo)methyl]amino]propan-2-yl ester IUPAC Name: 1,3-bis(adamantane-1-carbonylamino)propan-2-yl 2-[[2-(acetylsulfanylmethyl)-3-phenylpropanoyl]amino]acetate Traditional Name: 2-[[2-[(acetylthio)methyl]-3-phenyl-propanoyl]amino]acetic acid [2-(adamantane-1-carbonylamino)-1-[(adamantane-1-carbonylamino)methyl]ethyl] ester Formula: C39H53N3O6S MolecularWeight: 691.91962

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(CNC(=O)C23CC4CC(C2)CC(C4)C3)CNC(=O)C56CC7CC(C5)CC(C7)C6

Isomeric SMILES

CC(=O)SCC(CC1=CC=CC=C1)C(=O)NCC(=O)OC(CNC(=O)C23CC4CC(C2)CC(C4)C3)CNC(=O)C56CC7CC(C5)CC(C7)C6

InChI

InChI=1S/C39H53N3O6S/c1-24(43)49-23-32(13-25-5-3-2-4-6-25)35(45)40-22-34(44)48-33(20-41-36(46)38-14-26-7-27(15-38)9-28(8-26)16-38)21-42-37(47)39-17-29-10-30(18-39)12-31(11-29)19-39/h2-6,26-33H,7-23H2,1H3,(H,40,45)(H,41,46)(H,42,47)