5-(1-adamantyl)-3-azanyl-7-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,6-bis(oxidanylidene)heptanoic acid

Systemtic Name: 5-(1-adamantyl)-3-azanyl-7-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]-4,6-bis(oxidanylidene)heptanoic acid Openeye Name: 5-(1-adamantyl)-3-amino-7-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-4,6-dioxo-heptanoic acid CAS Name: 5-(1-adamantyl)-3-amino-7-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxo-1-imidazolidinyl]-4,6-dioxoheptanoic acid IUPAC Name: 5-(1-adamantyl)-3-amino-7-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-4,6-dioxoheptanoic acid Traditional Name: 5-(1-adamantyl)-7-[4-(4-amidinophenyl)-2,5-diketo-4-methyl-imidazolidin-1-yl]-3-amino-4,6-diketo-enanthic acid Formula: C28H35N5O6 MolecularWeight: 537.6074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H35N5O6/c1-27(18-4-2-17(3-5-18)24(30)31)25(38)33(26(39)32-27)13-20(34)22(23(37)19(29)9-21(35)36)28-10-14-6-15(11-28)8-16(7-14)12-28/h2-5,14-16,19,22H,6-13,29H2,1H3,(H3,30,31)(H,32,39)(H,35,36)