methyl (2S)-2-[(3R)-3-(1H-indol-3-ylmethyl)-2,6-bis(oxidanylidene)piperazin-1-yl]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[(3R)-3-(1H-indol-3-ylmethyl)-2,6-bis(oxidanylidene)piperazin-1-yl]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[(3R)-3-(1H-indol-3-ylmethyl)-2,6-dioxo-piperazin-1-yl]-3-phenyl-propanoate CAS Name: (2S)-2-[(3R)-3-(1H-indol-3-ylmethyl)-2,6-dioxo-1-piperazinyl]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[(3R)-3-(1H-indol-3-ylmethyl)-2,6-dioxopiperazin-1-yl]-3-phenylpropanoate Traditional Name: (2S)-2-[(3R)-3-(1H-indol-3-ylmethyl)-2,6-diketo-piperazino]-3-phenyl-propionic acid methyl ester Formula: C23H23N3O4 MolecularWeight: 405.44642

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)N2C(=O)CNC(C2=O)CC3=CNC4=CC=CC=C43

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)N2C(=O)CN[C@@H](C2=O)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C23H23N3O4/c1-30-23(29)20(11-15-7-3-2-4-8-15)26-21(27)14-25-19(22(26)28)12-16-13-24-18-10-6-5-9-17(16)18/h2-10,13,19-20,24-25H,11-12,14H2,1H3/t19-,20+/m1/s1