[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] (2R)-2-azanyl-3-(1H-indol-3-yl)propanoate

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxidanylidene-chromen-7-yl] (2R)-2-azanyl-3-(1H-indol-3-yl)propanoate Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-chromen-7-yl] (2R)-2-amino-3-(1H-indol-3-yl)propanoate CAS Name: (2R)-2-amino-3-(1H-indol-3-yl)propanoic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-1-benzopyran-7-yl] ester IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxochromen-7-yl] (2R)-2-amino-3-(1H-indol-3-yl)propanoate Traditional Name: (2R)-2-amino-3-(1H-indol-3-yl)propionic acid [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-keto-2-methyl-chromen-7-yl] ester Formula: C30H26N2O6 MolecularWeight: 510.53724

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C(CC3=CNC4=CC=CC=C43)N)C5=CC6=C(C=C5)OCCCO6

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)[C@@H](CC3=CNC4=CC=CC=C43)N)C5=CC6=C(C=C5)OCCCO6

InChI

InChI=1S/C30H26N2O6/c1-17-28(18-7-10-25-27(14-18)36-12-4-11-35-25)29(33)22-9-8-20(15-26(22)37-17)38-30(34)23(31)13-19-16-32-24-6-3-2-5-21(19)24/h2-3,5-10,14-16,23,32H,4,11-13,31H2,1H3/t23-/m1/s1