ethyl 3-[[(4S)-4-(2,3-dihydro-1H-indol-5-ylcarbonylamino)-5-methoxy-5-oxidanylidene-pentanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[(4S)-4-(2,3-dihydro-1H-indol-5-ylcarbonylamino)-5-methoxy-5-oxidanylidene-pentanoyl]amino]benzoate Openeye Name: ethyl 3-[[(4S)-4-(indoline-5-carbonylamino)-5-methoxy-5-oxo-pentanoyl]amino]benzoate CAS Name: 3-[[(4S)-4-[[2,3-dihydro-1H-indol-5-yl(oxo)methyl]amino]-5-methoxy-1,5-dioxopentyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(4S)-4-(2,3-dihydro-1H-indole-5-carbonylamino)-5-methoxy-5-oxopentanoyl]amino]benzoate Traditional Name: 3-[[(4S)-4-(indoline-5-carbonylamino)-5-keto-5-methoxy-pentanoyl]amino]benzoic acid ethyl ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCC(C(=O)OC)NC(=O)C2=CC3=C(C=C2)NCC3

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CC[C@@H](C(=O)OC)NC(=O)C2=CC3=C(C=C2)NCC3

InChI

InChI=1S/C24H27N3O6/c1-3-33-23(30)17-5-4-6-18(14-17)26-21(28)10-9-20(24(31)32-2)27-22(29)16-7-8-19-15(13-16)11-12-25-19/h4-8,13-14,20,25H,3,9-12H2,1-2H3,(H,26,28)(H,27,29)/t20-/m0/s1