3-[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[3-[(5-amidino-1H-indole-2-carbonyl)amino]propanoylamino]-3-phenyl-propionic acid Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CC3=C(N2)C=CC(=C3)C(=N)N

InChI

InChI=1S/C22H23N5O4/c23-21(24)14-6-7-16-15(10-14)11-18(26-16)22(31)25-9-8-19(28)27-17(12-20(29)30)13-4-2-1-3-5-13/h1-7,10-11,17,26H,8-9,12H2,(H3,23,24)(H,25,31)(H,27,28)(H,29,30)