3-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]-2-(cyclohexylmethoxycarbonylamino)-2-(4-methylpentanoylamino)propanoic acid

Systemtic Name: 3-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-bis(oxidanylidene)-3-(phenylmethyl)imidazolidin-1-yl]-2-(cyclohexylmethoxycarbonylamino)-2-(4-methylpentanoylamino)propanoic acid Openeye Name: 3-[3-benzyl-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxo-imidazolidin-1-yl]-2-(cyclohexylmethoxycarbonylamino)-2-(4-methylpentanoylamino)propanoic acid CAS Name: 3-[4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxo-3-(phenylmethyl)-1-imidazolidinyl]-2-[[cyclohexylmethoxy(oxo)methyl]amino]-2-[(4-methyl-1-oxopentyl)amino]propanoic acid IUPAC Name: 3-[3-benzyl-4-(4-carbamimidoylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-2-(cyclohexylmethoxycarbonylamino)-2-(4-methylpentanoylamino)propanoic acid Traditional Name: 3-[4-(4-amidinophenyl)-3-benzyl-2,5-diketo-4-methyl-imidazolidin-1-yl]-2-(cyclohexylmethoxycarbonylamino)-2-(4-methylpentanoylamino)propionic acid Formula: C35H46N6O7 MolecularWeight: 662.77574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(=O)NC(CN1C(=O)C(N(C1=O)CC2=CC=CC=C2)(C)C3=CC=C(C=C3)C(=N)N)(C(=O)O)NC(=O)OCC4CCCCC4

Isomeric SMILES

CC(C)CCC(=O)NC(CN1C(=O)C(N(C1=O)CC2=CC=CC=C2)(C)C3=CC=C(C=C3)C(=N)N)(C(=O)O)NC(=O)OCC4CCCCC4

InChI

InChI=1S/C35H46N6O7/c1-23(2)14-19-28(42)38-35(31(44)45,39-32(46)48-21-25-12-8-5-9-13-25)22-40-30(43)34(3,27-17-15-26(16-18-27)29(36)37)41(33(40)47)20-24-10-6-4-7-11-24/h4,6-7,10-11,15-18,23,25H,5,8-9,12-14,19-22H2,1-3H3,(H3,36,37)(H,38,42)(H,39,46)(H,44,45)