2-(2-adamantyloxycarbonylamino)-2-(9-methylsulfonylpyrido[3,4-b]indol-3-yl)propanoic acid

Systemtic Name: 2-(2-adamantyloxycarbonylamino)-2-(9-methylsulfonylpyrido[3,4-b]indol-3-yl)propanoic acid Openeye Name: 2-(2-adamantyloxycarbonylamino)-2-(9-methylsulfonylpyrido[3,4-b]indol-3-yl)propanoic acid CAS Name: 2-[[2-adamantyloxy(oxo)methyl]amino]-2-(9-methylsulfonyl-3-pyrido[3,4-b]indolyl)propanoic acid IUPAC Name: 2-(2-adamantyloxycarbonylamino)-2-(9-methylsulfonylpyrido[3,4-b]indol-3-yl)propanoic acid Traditional Name: 2-(2-adamantyloxycarbonylamino)-2-(9-mesyl-$b-carbolin-3-yl)propionic acid Formula: C26H29N3O6S MolecularWeight: 511.58996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC=C2C(=C1)C3=CC=CC=C3N2S(=O)(=O)C)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

Isomeric SMILES

CC(C1=NC=C2C(=C1)C3=CC=CC=C3N2S(=O)(=O)C)(C(=O)O)NC(=O)OC4C5CC6CC(C5)CC4C6

InChI

InChI=1S/C26H29N3O6S/c1-26(24(30)31,28-25(32)35-23-16-8-14-7-15(10-16)11-17(23)9-14)22-12-19-18-5-3-4-6-20(18)29(36(2,33)34)21(19)13-27-22/h3-6,12-17,23H,7-11H2,1-2H3,(H,28,32)(H,30,31)