3-[2-[1-adamantyl(methoxycarbonyl)amino]-3-methyl-butanoyl]-2-azanyl-6-methyl-benzoic acid

Systemtic Name: 3-[2-[1-adamantyl(methoxycarbonyl)amino]-3-methyl-butanoyl]-2-azanyl-6-methyl-benzoic acid Openeye Name: 3-[2-[1-adamantyl(methoxycarbonyl)amino]-3-methyl-butanoyl]-2-amino-6-methyl-benzoic acid CAS Name: 3-[2-[1-adamantyl(methoxycarbonyl)amino]-3-methyl-1-oxobutyl]-2-amino-6-methylbenzoic acid IUPAC Name: 3-[2-[1-adamantyl(methoxycarbonyl)amino]-3-methylbutanoyl]-2-amino-6-methylbenzoic acid Traditional Name: 3-[2-[1-adamantyl(carbomethoxy)amino]-3-methyl-butanoyl]-2-amino-6-methyl-benzoic acid Formula: C25H34N2O5 MolecularWeight: 442.54786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C(=O)C(C(C)C)N(C(=O)OC)C23CC4CC(C2)CC(C4)C3)N)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C=C1)C(=O)C(C(C)C)N(C(=O)OC)C23CC4CC(C2)CC(C4)C3)N)C(=O)O

InChI

InChI=1S/C25H34N2O5/c1-13(2)21(22(28)18-6-5-14(3)19(20(18)26)23(29)30)27(24(31)32-4)25-10-15-7-16(11-25)9-17(8-15)12-25/h5-6,13,15-17,21H,7-12,26H2,1-4H3,(H,29,30)