N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide

Systemtic Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxidanylidene-butan-2-yl]-4-(1H-indol-2-ylcarbonyl)piperazine-1-carboxamide Openeye Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide CAS Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-[1H-indol-2-yl(oxo)methyl]-1-piperazinecarboxamide IUPAC Name: N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-3-methyl-1-oxobutan-2-yl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Traditional Name: N-[(1S)-1-(1,3-benzodioxol-5-ylcarbamoyl)-2-methyl-propyl]-4-(1H-indole-2-carbonyl)piperazine-1-carboxamide Formula: C26H29N5O5 MolecularWeight: 491.53896

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC2=C(C=C1)OCO2)NC(=O)N3CCN(CC3)C(=O)C4=CC5=CC=CC=C5N4

InChI

InChI=1S/C26H29N5O5/c1-16(2)23(24(32)27-18-7-8-21-22(14-18)36-15-35-21)29-26(34)31-11-9-30(10-12-31)25(33)20-13-17-5-3-4-6-19(17)28-20/h3-8,13-14,16,23,28H,9-12,15H2,1-2H3,(H,27,32)(H,29,34)/t23-/m0/s1