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

Systemtic Name: 2-[2-[(5-methoxy-1-methyl-indol-2-yl)carbonylamino]propanoylamino]-3-phenyl-propanoic acid Openeye Name: 2-[2-[(5-methoxy-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-phenyl-propanoic acid CAS Name: 2-[[2-[[(5-methoxy-1-methyl-2-indolyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[2-[(5-methoxy-1-methylindole-2-carbonyl)amino]propanoylamino]-3-phenylpropanoic acid Traditional Name: 2-[2-[(5-methoxy-1-methyl-indole-2-carbonyl)amino]propanoylamino]-3-phenyl-propionic acid Formula: C23H25N3O5 MolecularWeight: 423.4617

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)OC

Isomeric SMILES

CC(C(=O)NC(CC1=CC=CC=C1)C(=O)O)NC(=O)C2=CC3=C(N2C)C=CC(=C3)OC

InChI

InChI=1S/C23H25N3O5/c1-14(21(27)25-18(23(29)30)11-15-7-5-4-6-8-15)24-22(28)20-13-16-12-17(31-3)9-10-19(16)26(20)2/h4-10,12-14,18H,11H2,1-3H3,(H,24,28)(H,25,27)(H,29,30)