ethyl 4-[[(2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2S)-2-(1-adamantylcarbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]benzoate Openeye Name: ethyl 4-[[(2S)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]benzoate CAS Name: 4-[[(2S)-2-[[1-adamantyl(oxo)methyl]amino]-3-(1H-indol-3-yl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2S)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(adamantane-1-carbonylamino)-3-(1H-indol-3-yl)propanoyl]amino]benzoic acid ethyl ester Formula: C31H35N3O4 MolecularWeight: 513.6273

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)C45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H35N3O4/c1-2-38-29(36)22-7-9-24(10-8-22)33-28(35)27(14-23-18-32-26-6-4-3-5-25(23)26)34-30(37)31-15-19-11-20(16-31)13-21(12-19)17-31/h3-10,18-21,27,32H,2,11-17H2,1H3,(H,33,35)(H,34,37)/t19?,20?,21?,27-,31?/m0/s1