[2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate

Systemtic Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxidanylidene-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Openeye Name: [2-(chroman-4-ylamino)-2-oxo-ethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propanoic acid [2-(3,4-dihydro-2H-1-benzopyran-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dihydro-2H-chromen-4-ylamino)-2-oxoethyl] (2S)-2-acetamido-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-acetamido-3-(1H-indol-3-yl)propionic acid [2-(chroman-4-ylamino)-2-keto-ethyl] ester Formula: C24H25N3O5 MolecularWeight: 435.4724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3CCOC4=CC=CC=C34

Isomeric SMILES

CC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)OCC(=O)NC3CCOC4=CC=CC=C34

InChI

InChI=1S/C24H25N3O5/c1-15(28)26-21(12-16-13-25-19-8-4-2-6-17(16)19)24(30)32-14-23(29)27-20-10-11-31-22-9-5-3-7-18(20)22/h2-9,13,20-21,25H,10-12,14H2,1H3,(H,26,28)(H,27,29)/t20?,21-/m0/s1