methyl (2S)-2-[carbonocyanidoyl(diphenoxyphosphoryl)amino]-3-(1H-indol-3-yl)propanoate

Systemtic Name: methyl (2S)-2-[carbonocyanidoyl(diphenoxyphosphoryl)amino]-3-(1H-indol-3-yl)propanoate Openeye Name: methyl (2S)-2-[carbonocyanidoyl(diphenoxyphosphoryl)amino]-3-(1H-indol-3-yl)propanoate CAS Name: (2S)-2-[carbonocyanidoyl(diphenoxyphosphoryl)amino]-3-(1H-indol-3-yl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[carbonocyanidoyl(diphenoxyphosphoryl)amino]-3-(1H-indol-3-yl)propanoate Traditional Name: (2S)-2-[carbonocyanidoyl(diphenoxyphosphoryl)amino]-3-(1H-indol-3-yl)propionic acid methyl ester Formula: C26H22N3O6P MolecularWeight: 503.443141

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CNC2=CC=CC=C21)N(C(=O)C#N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@H](CC1=CNC2=CC=CC=C21)N(C(=O)C#N)P(=O)(OC3=CC=CC=C3)OC4=CC=CC=C4

InChI

InChI=1S/C26H22N3O6P/c1-33-26(31)24(16-19-18-28-23-15-9-8-14-22(19)23)29(25(30)17-27)36(32,34-20-10-4-2-5-11-20)35-21-12-6-3-7-13-21/h2-15,18,24,28H,16H2,1H3/t24-/m0/s1