tert-butyl 2-azanyl-3-(1H-indol-3-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-2-(propanoylamino)hexanoate

Systemtic Name: tert-butyl 2-azanyl-3-(1H-indol-3-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-2-(propanoylamino)hexanoate Openeye Name: tert-butyl 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-(propanoylamino)hexanoate CAS Name: 2-amino-3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-3-(1H-indol-3-yl)-2-(1-oxopropylamino)hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-(propanoylamino)hexanoate Traditional Name: 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-3-(1H-indol-3-yl)-2-propionamido-hexanoic acid tert-butyl ester Formula: C33H43N5O5 MolecularWeight: 589.72502

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CNC2=CC=CC=C21)(C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C(C(=O)OC(C)(C)C)(N)NC(=O)CC

Isomeric SMILES

CCCC(C1=CNC2=CC=CC=C21)(C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4)C(C(=O)OC(C)(C)C)(N)NC(=O)CC

InChI

InChI=1S/C33H43N5O5/c1-6-17-32(25-22-35-26-16-12-11-15-24(25)26,33(34,36-27(39)7-2)30(42)43-31(3,4)5)29(41)38-20-18-37(19-21-38)28(40)23-13-9-8-10-14-23/h8-16,22,35H,6-7,17-21,34H2,1-5H3,(H,36,39)