2-azanyl-2-(butanoylamino)-3-(1H-indol-3-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-hexanoic acid

Systemtic Name: 2-azanyl-2-(butanoylamino)-3-(1H-indol-3-yl)-3-[4-(phenylcarbonyl)piperazin-1-yl]carbonyl-hexanoic acid Openeye Name: 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-2-(butanoylamino)-3-(1H-indol-3-yl)hexanoic acid CAS Name: 2-amino-3-[(4-benzoyl-1-piperazinyl)-oxomethyl]-3-(1H-indol-3-yl)-2-(1-oxobutylamino)hexanoic acid IUPAC Name: 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-2-(butanoylamino)-3-(1H-indol-3-yl)hexanoic acid Traditional Name: 2-amino-3-(4-benzoylpiperazine-1-carbonyl)-2-butyramido-3-(1H-indol-3-yl)hexanoic acid Formula: C30H37N5O5 MolecularWeight: 547.64528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H37N5O5/c1-3-10-25(36)33-30(31,28(39)40)29(15-4-2,23-20-32-24-14-9-8-13-22(23)24)27(38)35-18-16-34(17-19-35)26(37)21-11-6-5-7-12-21/h5-9,11-14,20,32H,3-4,10,15-19,31H2,1-2H3,(H,33,36)(H,39,40)