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

Systemtic Name: 3-[3-[(5-carbamimidoyl-1H-indol-2-yl)carbonylamino]butanoylamino]-3-phenyl-propanoic acid Openeye Name: 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]butanoylamino]-3-phenyl-propanoic acid CAS Name: 3-[[3-[[(5-carbamimidoyl-1H-indol-2-yl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-[3-[(5-carbamimidoyl-1H-indole-2-carbonyl)amino]butanoylamino]-3-phenylpropanoic acid Traditional Name: 3-[3-[(5-amidino-1H-indole-2-carbonyl)amino]butanoylamino]-3-phenyl-propionic acid Formula: C23H25N5O4 MolecularWeight: 435.4757

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4/c1-13(9-20(29)28-18(12-21(30)31)14-5-3-2-4-6-14)26-23(32)19-11-16-10-15(22(24)25)7-8-17(16)27-19/h2-8,10-11,13,18,27H,9,12H2,1H3,(H3,24,25)(H,26,32)(H,28,29)(H,30,31)