methyl (2R)-2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2R)-2-[3-[(4-bromophenyl)carbonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[3-[[(4-bromophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[3-[(4-bromobenzoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C22H22BrN3O4 MolecularWeight: 472.33178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22BrN3O4/c1-30-22(29)19(12-15-13-25-18-5-3-2-4-17(15)18)26-20(27)10-11-24-21(28)14-6-8-16(23)9-7-14/h2-9,13,19,25H,10-12H2,1H3,(H,24,28)(H,26,27)/t19-/m1/s1