3-butan-2-yl-13-hexan-2-yl-9-(1H-indol-3-ylmethyl)-6-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone

Systemtic Name: 3-butan-2-yl-13-hexan-2-yl-9-(1H-indol-3-ylmethyl)-6-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Openeye Name: 6-benzyl-9-(1H-indol-3-ylmethyl)-13-(1-methylpentyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone CAS Name: 3-butan-2-yl-13-hexan-2-yl-9-(1H-indol-3-ylmethyl)-6-(phenylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone IUPAC Name: 6-benzyl-3-butan-2-yl-13-hexan-2-yl-9-(1H-indol-3-ylmethyl)-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-tetrone Traditional Name: 6-benzyl-9-(1H-indol-3-ylmethyl)-13-(1-methylpentyl)-3-sec-butyl-1-oxa-4,7,10-triazacyclotridecane-2,5,8,11-diquinone Formula: C35H46N4O5 MolecularWeight: 602.76354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

Isomeric SMILES

CCCCC(C)C1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)O1)C(C)CC)CC2=CC=CC=C2)CC3=CNC4=CC=CC=C43

InChI

InChI=1S/C35H46N4O5/c1-5-7-13-23(4)30-20-31(40)37-29(19-25-21-36-27-17-12-11-16-26(25)27)33(41)38-28(18-24-14-9-8-10-15-24)34(42)39-32(22(3)6-2)35(43)44-30/h8-12,14-17,21-23,28-30,32,36H,5-7,13,18-20H2,1-4H3,(H,37,40)(H,38,41)(H,39,42)