2-[3-[(2S,5S,8S,11S,14S,17S)-5-[(4-hydroxyphenyl)methyl]-17-(indol-1-ylmethyl)-4,10,16-trimethyl-3,6,9,12,15,18-hexakis(oxidanylidene)-8,11,14-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-2-yl]propyl]guanidine

Systemtic Name: 2-[3-[(2S,5S,8S,11S,14S,17S)-5-[(4-hydroxyphenyl)methyl]-17-(indol-1-ylmethyl)-4,10,16-trimethyl-3,6,9,12,15,18-hexakis(oxidanylidene)-8,11,14-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-2-yl]propyl]guanidine Openeye Name: 2-[3-[(2S,5S,8S,11S,14S,17S)-5-[(4-hydroxyphenyl)methyl]-17-(indol-1-ylmethyl)-8,11,14-triisopropyl-4,10,16-trimethyl-3,6,9,12,15,18-hexaoxo-1,7,13-trioxa-4,10,16-triazacyclooctadec-2-yl]propyl]guanidine CAS Name: 2-[3-[(2S,5S,8S,11S,14S,17S)-5-[(4-hydroxyphenyl)methyl]-17-(1-indolylmethyl)-4,10,16-trimethyl-3,6,9,12,15,18-hexaoxo-8,11,14-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-2-yl]propyl]guanidine IUPAC Name: 2-[3-[(2S,5S,8S,11S,14S,17S)-5-[(4-hydroxyphenyl)methyl]-17-(indol-1-ylmethyl)-4,10,16-trimethyl-3,6,9,12,15,18-hexaoxo-8,11,14-tri(propan-2-yl)-1,7,13-trioxa-4,10,16-triazacyclooctadec-2-yl]propyl]guanidine Traditional Name: 2-[3-[(2S,5S,8S,11S,14S,17S)-5-(4-hydroxybenzyl)-17-(indol-1-ylmethyl)-8,11,14-triisopropyl-3,6,9,12,15,18-hexaketo-4,10,16-trimethyl-1,7,13-trioxa-4,10,16-triazacyclooctadec-2-yl]propyl]guanidine Formula: C44H61N7O10 MolecularWeight: 847.99604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N(C(C(=O)OC(C(=O)N1C)C(C)C)CC2=CC=C(C=C2)O)C)CCCN=C(N)N)CN3C=CC4=CC=CC=C43)C)C(C)C

Isomeric SMILES

CC(C)[C@H]1C(=O)O[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N([C@H](C(=O)O[C@H](C(=O)N1C)C(C)C)CC2=CC=C(C=C2)O)C)CCCN=C(N)N)CN3C=CC4=CC=CC=C43)C)C(C)C

InChI

InChI=1S/C44H61N7O10/c1-25(2)35-43(58)61-36(26(3)4)39(54)49(8)33(24-51-22-20-29-13-10-11-14-31(29)51)42(57)59-34(15-12-21-47-44(45)46)38(53)48(7)32(23-28-16-18-30(52)19-17-28)41(56)60-37(27(5)6)40(55)50(35)9/h10-11,13-14,16-20,22,25-27,32-37,52H,12,15,21,23-24H2,1-9H3,(H4,45,46,47)/t32-,33-,34-,35-,36-,37-/m0/s1