methyl (2R)-2-[[3-(aminocarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[[3-(aminocarbonylamino)-3-phenyl-propanoyl]amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-3-(1H-indol-3-yl)-2-[(3-phenyl-3-ureido-propanoyl)amino]propanoate CAS Name: (2R)-2-[[3-(carbamoylamino)-1-oxo-3-phenylpropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[[3-(carbamoylamino)-3-phenylpropanoyl]amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-3-(1H-indol-3-yl)-2-[(3-phenyl-3-ureido-propanoyl)amino]propionic acid methyl ester Formula: C22H24N4O4 MolecularWeight: 408.45036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)CC(C3=CC=CC=C3)NC(=O)N

Isomeric SMILES

COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)CC(C3=CC=CC=C3)NC(=O)N

InChI

InChI=1S/C22H24N4O4/c1-30-21(28)19(11-15-13-24-17-10-6-5-9-16(15)17)25-20(27)12-18(26-22(23)29)14-7-3-2-4-8-14/h2-10,13,18-19,24H,11-12H2,1H3,(H,25,27)(H3,23,26,29)/t18?,19-/m1/s1