2-[2-[2-azanylpropanoyl(cyclohexyl)carbamoyl]-4-(4-carbamimidoylphenyl)-3-methyl-indol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[2-azanylpropanoyl(cyclohexyl)carbamoyl]-4-(4-carbamimidoylphenyl)-3-methyl-indol-1-yl]ethanoic acid Openeye Name: 2-[2-[2-aminopropanoyl(cyclohexyl)carbamoyl]-4-(4-carbamimidoylphenyl)-3-methyl-indol-1-yl]acetic acid CAS Name: 2-[2-[[(2-amino-1-oxopropyl)-cyclohexylamino]-oxomethyl]-4-(4-carbamimidoylphenyl)-3-methyl-1-indolyl]acetic acid IUPAC Name: 2-[2-[2-aminopropanoyl(cyclohexyl)carbamoyl]-4-(4-carbamimidoylphenyl)-3-methylindol-1-yl]acetic acid Traditional Name: 2-[2-[alanyl(cyclohexyl)carbamoyl]-4-(4-amidinophenyl)-3-methyl-indol-1-yl]acetic acid Formula: C28H33N5O4 MolecularWeight: 503.59272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=CC=CC(=C12)C3=CC=C(C=C3)C(=N)N)CC(=O)O)C(=O)N(C4CCCCC4)C(=O)C(C)N

Isomeric SMILES

CC1=C(N(C2=CC=CC(=C12)C3=CC=C(C=C3)C(=N)N)CC(=O)O)C(=O)N(C4CCCCC4)C(=O)C(C)N

InChI

InChI=1S/C28H33N5O4/c1-16-24-21(18-11-13-19(14-12-18)26(30)31)9-6-10-22(24)32(15-23(34)35)25(16)28(37)33(27(36)17(2)29)20-7-4-3-5-8-20/h6,9-14,17,20H,3-5,7-8,15,29H2,1-2H3,(H3,30,31)(H,34,35)