2-(1-adamantylmethoxycarbonylamino)-3-[2-[4-methyl-3-(naphthalen-2-ylmethyl)-4-[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoylamino]propanoic acid

Systemtic Name: 2-(1-adamantylmethoxycarbonylamino)-3-[2-[4-methyl-3-(naphthalen-2-ylmethyl)-4-[4-[(Z)-N'-oxidanylcarbamimidoyl]phenyl]-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanoylamino]propanoic acid Openeye Name: 2-(1-adamantylmethoxycarbonylamino)-3-[[2-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methyl-3-(2-naphthylmethyl)-2,5-dioxo-imidazolidin-1-yl]acetyl]amino]propanoic acid CAS Name: 2-[[1-adamantylmethoxy(oxo)methyl]amino]-3-[[2-[4-[4-[(Z)-amino(hydroxyimino)methyl]phenyl]-4-methyl-3-(2-naphthalenylmethyl)-2,5-dioxo-1-imidazolidinyl]-1-oxoethyl]amino]propanoic acid IUPAC Name: 2-(1-adamantylmethoxycarbonylamino)-3-[[2-[4-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-4-methyl-3-(naphthalen-2-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetyl]amino]propanoic acid Traditional Name: 2-(1-adamantylmethoxycarbonylamino)-3-[[2-[4-[4-[(Z)-aminocarbohydroximoyl]phenyl]-2,5-diketo-4-methyl-3-(2-naphthylmethyl)imidazolidin-1-yl]acetyl]amino]propionic acid Formula: C39H44N6O8 MolecularWeight: 724.80206

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C(=O)N1CC2=CC3=CC=CC=C3C=C2)CC(=O)NCC(C(=O)O)NC(=O)OCC45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)C(=NO)N

Isomeric SMILES

CC1(C(=O)N(C(=O)N1CC2=CC3=CC=CC=C3C=C2)CC(=O)NCC(C(=O)O)NC(=O)OCC45CC6CC(C4)CC(C6)C5)C7=CC=C(C=C7)/C(=N/O)/N

InChI

InChI=1S/C39H44N6O8/c1-38(30-10-8-28(9-11-30)33(40)43-52)35(49)44(37(51)45(38)20-23-6-7-27-4-2-3-5-29(27)15-23)21-32(46)41-19-31(34(47)48)42-36(50)53-22-39-16-24-12-25(17-39)14-26(13-24)18-39/h2-11,15,24-26,31,52H,12-14,16-22H2,1H3,(H2,40,43)(H,41,46)(H,42,50)(H,47,48)