(phenylmethyl) N-[4-azanyl-1-[[4-[2-[[1-[[1-[4-[20-ethyl-23-(hydroxymethyl)-5,7,10,13,16,22,25,31-octamethyl-17-(2-methyl-1-oxidanyl-propyl)-8,11,26,32-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,29-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbama

Systemtic Name: (phenylmethyl) N-[4-azanyl-1-[[4-[2-[[1-[[1-[4-[20-ethyl-23-(hydroxymethyl)-5,7,10,13,16,22,25,31-octamethyl-17-(2-methyl-1-oxidanyl-propyl)-8,11,26,32-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,29-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylamino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-methyl-1-oxidanylidene-pentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-oxidanyl-1-phenyl-butan-2-yl]amino]-1,4-bis(oxidanylidene)butan-2-yl]carbama Openeye Name: benzyl N-[3-amino-1-[[1-benzyl-3-[2-[[1-[[1-benzyl-2-[4-[20-ethyl-23-(hydroxymethyl)-17-(1-hydroxy-2-methyl-propyl)-8,11,26,32-tetraisobutyl-14,29-diisopropyl-5,7,10,13,16,22,25,31-octamethyl-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylamino]-2-oxo-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-2-hydroxy-propyl]carbamoyl]-3-oxo-propyl]carbamate CAS Name: N-[4-amino-1-[[4-[2-[[[1-[[1-[4-[20-ethyl-23-(hydroxymethyl)-17-(1-hydroxy-2-methylpropyl)-5,7,10,13,16,22,25,31-octamethyl-8,11,26,32-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,29-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-oxomethyl]-1-pyrrolidinyl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[4-amino-1-[[4-[2-[[1-[[1-[4-[20-ethyl-23-(hydroxymethyl)-17-(1-hydroxy-2-methylpropyl)-5,7,10,13,16,22,25,31-octamethyl-8,11,26,32-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,29-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylamino]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-phenylbutan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamate Traditional Name: N-[3-amino-1-[[1-benzyl-3-[2-[[1-[[1-benzyl-2-[4-[20-ethyl-17-(1-hydroxy-2-methyl-propyl)-8,11,26,32-tetraisobutyl-14,29-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaketo-5,7,10,13,16,22,25,31-octamethyl-23-methylol-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]butylamino]-2-keto-ethyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidino]-2-hydroxy-propyl]carbamoyl]-3-keto-propyl]carbamic acid benzyl ester Formula: C105H168N18O21 MolecularWeight: 2018.56542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)CC)NC(=O)C3CCCN3CC(C(CC4=CC=CC=C4)NC(=O)C(CC(=O)N)NC(=O)OCC5=CC=CC=C5)O)CC(C)C)C)C(C)C)CC(C)C)C)CO)C

Isomeric SMILES

CCC1C(=O)N(C(C(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)CCCCNC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)CC)NC(=O)C3CCCN3CC(C(CC4=CC=CC=C4)NC(=O)C(CC(=O)N)NC(=O)OCC5=CC=CC=C5)O)CC(C)C)C)C(C)C)CC(C)C)C)CO)C

InChI

InChI=1S/C105H168N18O21/c1-26-67(17)86(115-93(131)77-47-39-49-123(77)57-83(125)74(54-69-40-31-28-32-41-69)111-92(130)76(56-84(106)126)113-105(143)144-59-71-44-35-30-36-45-71)96(134)112-75(55-70-42-33-29-34-43-70)90(128)107-48-38-37-46-73-91(129)108-68(18)98(136)118(21)80(52-62(7)8)100(138)119(22)81(53-63(9)10)101(139)121(24)87(65(13)14)104(142)122(25)88(89(127)66(15)16)97(135)109-72(27-2)99(137)120(23)82(58-124)102(140)116(19)79(51-61(5)6)95(133)114-85(64(11)12)103(141)117(20)78(50-60(3)4)94(132)110-73/h28-36,40-45,60-68,72-83,85-89,124-125,127H,26-27,37-39,46-59H2,1-25H3,(H2,106,126)(H,107,128)(H,108,129)(H,109,135)(H,110,132)(H,111,130)(H,112,134)(H,113,143)(H,114,133)(H,115,131)