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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C(=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/c1-23(2,22(32)27-17(12-19(29)30)13-6-4-3-5-7-13)28-21(31)18-11-15-10-14(20(24)25)8-9-16(15)26-18/h3-11,17,26H,12H2,1-2H3,(H3,24,25)(H,27,32)(H,28,31)(H,29,30)