(2R)-2-(1-adamantylcarbonylamino)-3-[2-(1-adamantylcarbonylamino)ethyldisulfanyl]propanoic acid

Systemtic Name: (2R)-2-(1-adamantylcarbonylamino)-3-[2-(1-adamantylcarbonylamino)ethyldisulfanyl]propanoic acid Openeye Name: (2R)-2-(adamantane-1-carbonylamino)-3-[2-(adamantane-1-carbonylamino)ethyldisulfanyl]propanoic acid CAS Name: (2R)-2-[[1-adamantyl(oxo)methyl]amino]-3-[2-[[1-adamantyl(oxo)methyl]amino]ethyldisulfanyl]propanoic acid IUPAC Name: (2R)-2-(adamantane-1-carbonylamino)-3-[2-(adamantane-1-carbonylamino)ethyldisulfanyl]propanoic acid Traditional Name: (2R)-2-(adamantane-1-carbonylamino)-3-[2-(adamantane-1-carbonylamino)ethyldisulfanyl]propionic acid Formula: C27H40N2O4S2 MolecularWeight: 520.7475

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCSSCC(C(=O)O)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCSSC[C@@H](C(=O)O)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H40N2O4S2/c30-23(31)22(29-25(33)27-12-19-6-20(13-27)8-21(7-19)14-27)15-35-34-2-1-28-24(32)26-9-16-3-17(10-26)5-18(4-16)11-26/h16-22H,1-15H2,(H,28,32)(H,29,33)(H,30,31)/t16?,17?,18?,19?,20?,21?,22-,26?,27?/m0/s1