methyl (2S)-2-(2,3-dihydro-1H-indol-5-ylcarbonylamino)-5-oxidanylidene-5-phenylazanyl-pentanoate

Systemtic Name: methyl (2S)-2-(2,3-dihydro-1H-indol-5-ylcarbonylamino)-5-oxidanylidene-5-phenylazanyl-pentanoate Openeye Name: methyl (2S)-5-anilino-2-(indoline-5-carbonylamino)-5-oxo-pentanoate CAS Name: (2S)-5-anilino-2-[[2,3-dihydro-1H-indol-5-yl(oxo)methyl]amino]-5-oxopentanoic acid methyl ester IUPAC Name: methyl (2S)-5-anilino-2-(2,3-dihydro-1H-indole-5-carbonylamino)-5-oxopentanoate Traditional Name: (2S)-5-anilino-2-(indoline-5-carbonylamino)-5-keto-valeric acid methyl ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCC(=O)NC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)NCC3

Isomeric SMILES

COC(=O)[C@H](CCC(=O)NC1=CC=CC=C1)NC(=O)C2=CC3=C(C=C2)NCC3

InChI

InChI=1S/C21H23N3O4/c1-28-21(27)18(9-10-19(25)23-16-5-3-2-4-6-16)24-20(26)15-7-8-17-14(13-15)11-12-22-17/h2-8,13,18,22H,9-12H2,1H3,(H,23,25)(H,24,26)/t18-/m0/s1