2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methyl-benzoic acid

Systemtic Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methyl-benzoic acid Openeye Name: 2-[2-[(6-carbamimidoyl-1-ethyl-indol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methyl-benzoic acid CAS Name: 2-[2-[(6-carbamimidoyl-1-ethyl-3-indolyl)methyl]-5-[[(5-methyl-2-pyrazinyl)methylamino]-oxomethyl]phenyl]-5-methylbenzoic acid IUPAC Name: 2-[2-[(6-carbamimidoyl-1-ethylindol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methylbenzoic acid Traditional Name: 2-[2-[(6-amidino-1-ethyl-indol-3-yl)methyl]-5-[(5-methylpyrazin-2-yl)methylcarbamoyl]phenyl]-5-methyl-benzoic acid Formula: C33H32N6O3 MolecularWeight: 560.64558

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=NC=C(N=C4)C)C5=C(C=C(C=C5)C)C(=O)O

Isomeric SMILES

CCN1C=C(C2=C1C=C(C=C2)C(=N)N)CC3=C(C=C(C=C3)C(=O)NCC4=NC=C(N=C4)C)C5=C(C=C(C=C5)C)C(=O)O

InChI

InChI=1S/C33H32N6O3/c1-4-39-18-24(26-10-8-22(31(34)35)14-30(26)39)12-21-6-7-23(32(40)38-17-25-16-36-20(3)15-37-25)13-28(21)27-9-5-19(2)11-29(27)33(41)42/h5-11,13-16,18H,4,12,17H2,1-3H3,(H3,34,35)(H,38,40)(H,41,42)