methyl (2S)-2-[[1-(1H-indol-2-ylcarbonyl)piperidin-3-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[1-(1H-indol-2-ylcarbonyl)piperidin-3-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[1-[1H-indol-2-yl(oxo)methyl]-3-piperidinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-(1H-indole-2-carbonyl)piperidine-3-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[1-(1H-indole-2-carbonyl)nipecotoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C25H27N3O4 MolecularWeight: 433.49958

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2CCCN(C2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C25H27N3O4/c1-32-25(31)22(14-17-8-3-2-4-9-17)27-23(29)19-11-7-13-28(16-19)24(30)21-15-18-10-5-6-12-20(18)26-21/h2-6,8-10,12,15,19,22,26H,7,11,13-14,16H2,1H3,(H,27,29)/t19?,22-/m0/s1