2-[5-[3-azanyl-3-(4,5,8-triaminocarbonyl-1-carbamimidoyl-naphthalen-2-yl)imino-propyl]-3-tert-butyl-2-oxidanyl-phenyl]-2-methyl-propanoic acid

Systemtic Name: 2-[5-[3-azanyl-3-(4,5,8-triaminocarbonyl-1-carbamimidoyl-naphthalen-2-yl)imino-propyl]-3-tert-butyl-2-oxidanyl-phenyl]-2-methyl-propanoic acid Openeye Name: 2-[5-[3-amino-3-[(1-carbamimidoyl-4,5,8-tricarbamoyl-2-naphthyl)imino]propyl]-3-tert-butyl-2-hydroxy-phenyl]-2-methyl-propanoic acid CAS Name: 2-[5-[3-amino-3-[(1-carbamimidoyl-4,5,8-tricarbamoyl-2-naphthalenyl)imino]propyl]-3-tert-butyl-2-hydroxyphenyl]-2-methylpropanoic acid IUPAC Name: 2-[5-[3-amino-3-(1-carbamimidoyl-4,5,8-tricarbamoylnaphthalen-2-yl)iminopropyl]-3-tert-butyl-2-hydroxyphenyl]-2-methylpropanoic acid Traditional Name: 2-[5-[3-[(1-amidino-4,5,8-tricarbamoyl-2-naphthyl)imino]-3-amino-propyl]-3-tert-butyl-2-hydroxy-phenyl]-2-methyl-propionic acid Formula: C31H37N7O6 MolecularWeight: 603.66878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C(=O)O)CCC(=NC2=C(C3=C(C=CC(=C3C(=C2)C(=O)N)C(=O)N)C(=O)N)C(=N)N)N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C(=O)O)CCC(=NC2=C(C3=C(C=CC(=C3C(=C2)C(=O)N)C(=O)N)C(=O)N)C(=N)N)N

InChI

InChI=1S/C31H37N7O6/c1-30(2,3)17-10-13(11-18(24(17)39)31(4,5)29(43)44)6-9-20(32)38-19-12-16(28(37)42)21-14(26(35)40)7-8-15(27(36)41)22(21)23(19)25(33)34/h7-8,10-12,39H,6,9H2,1-5H3,(H2,32,38)(H3,33,34)(H2,35,40)(H2,36,41)(H2,37,42)(H,43,44)