3-azanyl-4-[[2-azanyl-1-[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]oxy-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-(phenylcarbonyl)amino]-4-oxidanylidene-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 3-azanyl-4-[[2-azanyl-1-[2-azanyl-3-(4-carbamimidoylphenyl)propanoyl]oxy-3-naphthalen-1-yl-1-oxidanylidene-propan-2-yl]-(phenylcarbonyl)amino]-4-oxidanylidene-butanoic acid; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: 3-amino-4-[[1-amino-2-[2-amino-3-(4-carbamimidoylphenyl)propanoyl]oxy-1-(1-naphthylmethyl)-2-oxo-ethyl]-benzoyl-amino]-4-oxo-butanoic acid; 2,2,2-trifluoroacetic acid CAS Name: 3-amino-4-[[2-amino-1-[2-amino-3-(4-carbamimidoylphenyl)-1-oxopropoxy]-3-(1-naphthalenyl)-1-oxopropan-2-yl]-benzoylamino]-4-oxobutanoic acid; 2,2,2-trifluoroacetic acid IUPAC Name: 3-amino-4-[[2-amino-1-[2-amino-3-(4-carbamimidoylphenyl)propanoyl]oxy-3-naphthalen-1-yl-1-oxopropan-2-yl]-benzoylamino]-4-oxobutanoic acid; 2,2,2-trifluoroacetic acid Traditional Name: 4-[[2-[3-(4-amidinophenyl)-2-amino-propanoyl]oxy-1-amino-2-keto-1-(1-naphthylmethyl)ethyl]-benzoyl-amino]-3-amino-4-keto-butyric acid; 2,2,2-trifluoroacetic acid Formula: C36H35F3N6O9 MolecularWeight: 752.69311

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)N(C(=O)C(CC(=O)O)N)C(CC2=CC=CC3=CC=CC=C32)(C(=O)OC(=O)C(CC4=CC=C(C=C4)C(=N)N)N)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N(C(=O)C(CC(=O)O)N)C(CC2=CC=CC3=CC=CC=C32)(C(=O)OC(=O)C(CC4=CC=C(C=C4)C(=N)N)N)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C34H34N6O7.C2HF3O2/c35-26(18-28(41)42)31(44)40(30(43)23-8-2-1-3-9-23)34(39,19-24-11-6-10-21-7-4-5-12-25(21)24)33(46)47-32(45)27(36)17-20-13-15-22(16-14-20)29(37)38;3-2(4,5)1(6)7/h1-16,26-27H,17-19,35-36,39H2,(H3,37,38)(H,41,42);(H,6,7)