(2S,5S,8R)-8-(cyclohexylmethyl)-2-(1H-indol-3-ylmethyl)-5-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone

Systemtic Name: (2S,5S,8R)-8-(cyclohexylmethyl)-2-(1H-indol-3-ylmethyl)-5-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone Openeye Name: (2S,5S,8R)-5-benzyl-8-(cyclohexylmethyl)-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone CAS Name: (2S,5S,8R)-8-(cyclohexylmethyl)-2-(1H-indol-3-ylmethyl)-5-(phenylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone IUPAC Name: (2S,5S,8R)-5-benzyl-8-(cyclohexylmethyl)-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-tetrone Traditional Name: (2S,5S,8R)-5-benzyl-8-(cyclohexylmethyl)-2-(1H-indol-3-ylmethyl)-1,4,7,10-tetrazacyclotetradecane-3,6,11,14-diquinone Formula: C33H41N5O4 MolecularWeight: 571.70974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC2CNC(=O)CCC(=O)NC(C(=O)NC(C(=O)N2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)C[C@@H]2CNC(=O)CCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC3=CC=CC=C3)CC4=CNC5=CC=CC=C54

InChI

InChI=1S/C33H41N5O4/c39-30-15-16-31(40)37-29(19-24-20-34-27-14-8-7-13-26(24)27)33(42)38-28(18-23-11-5-2-6-12-23)32(41)36-25(21-35-30)17-22-9-3-1-4-10-22/h2,5-8,11-14,20,22,25,28-29,34H,1,3-4,9-10,15-19,21H2,(H,35,39)(H,36,41)(H,37,40)(H,38,42)/t25-,28+,29+/m1/s1