3-[3-[(6-carbamimidoyl-1H-indol-3-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid

Systemtic Name: 3-[3-[(6-carbamimidoyl-1H-indol-3-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[3-[(6-carbamimidoyl-1H-indole-3-carbonyl)amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[[(6-carbamimidoyl-1H-indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[3-[(6-carbamimidoyl-1H-indole-3-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[3-[(6-amidino-1H-indole-3-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=CNC3=C2C=CC(=C3)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)O)NC(=O)CCNC(=O)C2=CNC3=C2C=CC(=C3)C(=N)N

InChI

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