diethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanedioate

Systemtic Name: diethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanedioate Openeye Name: diethyl 2-[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]propanedioate CAS Name: 2-[[(2R)-3-(1H-indol-3-yl)-1-oxo-2-(phenylmethoxycarbonylamino)propyl]amino]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[[(2R)-3-(1H-indol-3-yl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]propanedioate Traditional Name: 2-[[(2R)-2-(benzyloxycarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]malonic acid diethyl ester Formula: C26H29N3O7 MolecularWeight: 495.52436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)NC(=O)C(CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)NC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C26H29N3O7/c1-3-34-24(31)22(25(32)35-4-2)29-23(30)21(14-18-15-27-20-13-9-8-12-19(18)20)28-26(33)36-16-17-10-6-5-7-11-17/h5-13,15,21-22,27H,3-4,14,16H2,1-2H3,(H,28,33)(H,29,30)/t21-/m1/s1