(3S)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-cyclohexylcarbonyl-N1-phenyl-piperazine-1,3-dicarboxamide

Systemtic Name: (3S)-N3-[(2R)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]-4-cyclohexylcarbonyl-N1-phenyl-piperazine-1,3-dicarboxamide Openeye Name: (3S)-N3-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]-4-(cyclohexanecarbonyl)-N1-phenyl-piperazine-1,3-dicarboxamide CAS Name: (3S)-N3-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[cyclohexyl(oxo)methyl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: (3S)-3-N-[(2R)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-(cyclohexanecarbonyl)-1-N-phenylpiperazine-1,3-dicarboxamide Traditional Name: (3S)-N'-[(1R)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]-4-(cyclohexanecarbonyl)-N-phenyl-piperazine-1,3-dicarboxamide Formula: C30H36N6O4 MolecularWeight: 544.64464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)N2CCN(CC2C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)NC5=CC=CC=C5

Isomeric SMILES

C1CCC(CC1)C(=O)N2CCN(C[C@H]2C(=O)N[C@H](CC3=CNC4=CC=CC=C43)C(=O)N)C(=O)NC5=CC=CC=C5

InChI

InChI=1S/C30H36N6O4/c31-27(37)25(17-21-18-32-24-14-8-7-13-23(21)24)34-28(38)26-19-35(30(40)33-22-11-5-2-6-12-22)15-16-36(26)29(39)20-9-3-1-4-10-20/h2,5-8,11-14,18,20,25-26,32H,1,3-4,9-10,15-17,19H2,(H2,31,37)(H,33,40)(H,34,38)/t25-,26+/m1/s1