methyl 3-(1-adamantyl)-3-[2-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoylamino]propanoate

Systemtic Name: methyl 3-(1-adamantyl)-3-[2-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoylamino]propanoate Openeye Name: methyl 3-(1-adamantyl)-3-[[2-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]acetyl]amino]propanoate CAS Name: 3-(1-adamantyl)-3-[[2-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-1-oxoethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-(1-adamantyl)-3-[[2-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoate Traditional Name: 3-(1-adamantyl)-3-[[2-[4-(4-amidinophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]acetyl]amino]propionic acid methyl ester Formula: C27H35N5O5 MolecularWeight: 509.5973

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1)CC(=O)NC(CC(=O)OC)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C(=N)N

Isomeric SMILES

CC1(C(=O)N(C(=O)N1)CC(=O)NC(CC(=O)OC)C23CC4CC(C2)CC(C4)C3)C5=CC=C(C=C5)C(=N)N

InChI

InChI=1S/C27H35N5O5/c1-26(19-5-3-18(4-6-19)23(28)29)24(35)32(25(36)31-26)14-21(33)30-20(10-22(34)37-2)27-11-15-7-16(12-27)9-17(8-15)13-27/h3-6,15-17,20H,7-14H2,1-2H3,(H3,28,29)(H,30,33)(H,31,36)