2-[3-[(2S,8S,11S,14S)-11,14-bis(2-methylpropyl)-3,6,9,12,15-pentakis(oxidanylidene)-8-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-[(2,2,5,6,8-pentamethyl-3,4-dihydrochromen-7-yl)sulfonyl]guanidine

Systemtic Name: 2-[3-[(2S,8S,11S,14S)-11,14-bis(2-methylpropyl)-3,6,9,12,15-pentakis(oxidanylidene)-8-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-[(2,2,5,6,8-pentamethyl-3,4-dihydrochromen-7-yl)sulfonyl]guanidine Openeye Name: 2-[3-[(2S,8S,11S,14S)-8-benzyl-11,14-diisobutyl-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-(2,2,5,6,8-pentamethylchroman-7-yl)sulfonyl-guanidine CAS Name: 2-[3-[(2S,8S,11S,14S)-11,14-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-8-(phenylmethyl)-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-[(2,2,5,6,8-pentamethyl-3,4-dihydro-2H-1-benzopyran-7-yl)sulfonyl]guanidine IUPAC Name: 2-[3-[(2S,8S,11S,14S)-8-benzyl-11,14-bis(2-methylpropyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-[(2,2,5,6,8-pentamethyl-3,4-dihydrochromen-7-yl)sulfonyl]guanidine Traditional Name: 2-[3-[(2S,8S,11S,14S)-8-benzyl-11,14-diisobutyl-3,6,9,12,15-pentaketo-1,4,7,10,13-pentazacyclopentadec-2-yl]propyl]-1-(2,2,5,6,8-pentamethylchroman-7-yl)sulfonyl-guanidine Formula: C43H64N8O8S MolecularWeight: 853.08206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2CCC(OC2=C(C(=C1C)S(=O)(=O)NC(=NCCCC3C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N3)CC(C)C)CC(C)C)CC4=CC=CC=C4)N)C)(C)C

Isomeric SMILES

CC1=C2CCC(OC2=C(C(=C1C)S(=O)(=O)NC(=NCCC[C@H]3C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N3)CC(C)C)CC(C)C)CC4=CC=CC=C4)N)C)(C)C

InChI

InChI=1S/C43H64N8O8S/c1-24(2)20-32-39(54)48-31(16-13-19-45-42(44)51-60(57,58)37-27(6)26(5)30-17-18-43(8,9)59-36(30)28(37)7)38(53)46-23-35(52)47-34(22-29-14-11-10-12-15-29)41(56)50-33(21-25(3)4)40(55)49-32/h10-12,14-15,24-25,31-34H,13,16-23H2,1-9H3,(H,46,53)(H,47,52)(H,48,54)(H,49,55)(H,50,56)(H3,44,45,51)/t31-,32-,33-,34-/m0/s1