2-[(3S,6S,9S,12S,15R)-3-(2-methylpropyl)-2,5,8,11-tetrakis(oxidanylidene)-9,12-bis(phenylmethyl)-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-6-yl]ethanoic acid

Systemtic Name: 2-[(3S,6S,9S,12S,15R)-3-(2-methylpropyl)-2,5,8,11-tetrakis(oxidanylidene)-9,12-bis(phenylmethyl)-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-6-yl]ethanoic acid Openeye Name: 2-[(3S,6S,9S,12S,15R)-9,12-dibenzyl-3-isobutyl-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-6-yl]acetic acid CAS Name: 2-[(3S,6S,9S,12S,15R)-3-(2-methylpropyl)-2,5,8,11-tetraoxo-9,12-bis(phenylmethyl)-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-6-yl]acetic acid IUPAC Name: 2-[(3S,6S,9S,12S,15R)-9,12-dibenzyl-3-(2-methylpropyl)-2,5,8,11-tetraoxo-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-6-yl]acetic acid Traditional Name: 2-[(3S,6S,9S,12S,15R)-9,12-dibenzyl-3-isobutyl-2,5,8,11-tetraketo-1,4,7,10-tetrazabicyclo[13.3.0]octadecan-6-yl]acetic acid Formula: C34H44N4O6 MolecularWeight: 604.73636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1C(=O)N2CCCC2CCC(C(=O)NC(C(=O)NC(C(=O)N1)CC(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CC(C)C[C@H]1C(=O)N2CCC[C@H]2CC[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC(=O)O)CC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C34H44N4O6/c1-22(2)18-29-34(44)38-17-9-14-26(38)16-15-25(19-23-10-5-3-6-11-23)31(41)35-27(20-24-12-7-4-8-13-24)32(42)36-28(21-30(39)40)33(43)37-29/h3-8,10-13,22,25-29H,9,14-21H2,1-2H3,(H,35,41)(H,36,42)(H,37,43)(H,39,40)/t25-,26-,27-,28-,29-/m0/s1