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

Systemtic Name: methyl (2R)-2-[3-[(4-tert-butylphenyl)carbonylamino]propanoylamino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2R)-2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxopropyl]amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H31N3O4 MolecularWeight: 449.54204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC(=O)N[C@H](CC2=CNC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C26H31N3O4/c1-26(2,3)19-11-9-17(10-12-19)24(31)27-14-13-23(30)29-22(25(32)33-4)15-18-16-28-21-8-6-5-7-20(18)21/h5-12,16,22,28H,13-15H2,1-4H3,(H,27,31)(H,29,30)/t22-/m1/s1