methyl (2S)-2-[[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[[4-(1H-indol-2-ylcarbonyl)piperazin-1-yl]carbonylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[[4-[1H-indol-2-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[4-(1H-indole-2-carbonyl)piperazine-1-carbonyl]amino]-3-phenyl-propionic acid methyl ester Formula: C24H26N4O4 MolecularWeight: 434.48764

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)N2CCN(CC2)C(=O)C3=CC4=CC=CC=C4N3

InChI

InChI=1S/C24H26N4O4/c1-32-23(30)21(15-17-7-3-2-4-8-17)26-24(31)28-13-11-27(12-14-28)22(29)20-16-18-9-5-6-10-19(18)25-20/h2-10,16,21,25H,11-15H2,1H3,(H,26,31)/t21-/m0/s1