methyl 2-[[4-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]phenyl]carbonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[[2-(1-adamantylcarbonylamino)-3-methyl-butanoyl]amino]phenyl]carbonylamino]ethanoate Openeye Name: methyl 2-[[4-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzoyl]amino]acetate CAS Name: 2-[[[4-[[2-[[1-adamantyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]phenyl]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[2-(adamantane-1-carbonylamino)-3-methylbutanoyl]amino]benzoyl]amino]acetate Traditional Name: 2-[[4-[[2-(adamantane-1-carbonylamino)-3-methyl-butanoyl]amino]benzoyl]amino]acetic acid methyl ester Formula: C26H35N3O5 MolecularWeight: 469.5732

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CC(C)C(C(=O)NC1=CC=C(C=C1)C(=O)NCC(=O)OC)NC(=O)C23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C26H35N3O5/c1-15(2)22(29-25(33)26-11-16-8-17(12-26)10-18(9-16)13-26)24(32)28-20-6-4-19(5-7-20)23(31)27-14-21(30)34-3/h4-7,15-18,22H,8-14H2,1-3H3,(H,27,31)(H,28,32)(H,29,33)