[(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23S,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] (2R)-1-[(2R)-2-azanyl-3-phosphonooxy-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23S,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecakis(oxidanylidene)-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] (2R)-1-[(2R)-2-azanyl-3-phosphonooxy-propanoyl]pyrrolidine-2-carboxylate Openeye Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23S,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-1,7,10,16,20,23,25,28,31-nonamethyl-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]-2-methyl-hex-4-enyl] (2R)-1-[(2R)-2-amino-3-phosphonooxy-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2R)-1-[(2R)-2-amino-1-oxo-3-phosphonooxypropyl]-2-pyrrolidinecarboxylic acid [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23S,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] ester IUPAC Name: [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23S,26S,29S,32S)-5-ethyl-1,7,10,16,20,23,25,28,31-nonamethyl-11,17,26,29-tetrakis(2-methylpropyl)-3,6,9,12,15,18,21,24,27,30,33-undecaoxo-14,32-di(propan-2-yl)-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methylhex-4-enyl] (2R)-1-[(2R)-2-amino-3-phosphonooxypropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2R)-1-[(2R)-2-amino-3-phosphonooxy-propanoyl]pyrrolidine-2-carboxylic acid [(E,1R,2R)-1-[(2S,5S,11S,14S,17S,20S,23S,26S,29S,32S)-5-ethyl-11,17,26,29-tetraisobutyl-14,32-diisopropyl-3,6,9,12,15,18,21,24,27,30,33-undecaketo-1,7,10,16,20,23,25,28,31-nonamethyl-1,4,7,10,13,16,19,22,25,28,31-undecazacyclotritriacont-2-yl]-2-methyl-hex-4-enyl] ester Formula: C70H124N13O18P MolecularWeight: 1466.783621

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(CC(=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)CC=CC)OC(=O)C2CCCN2C(=O)C(COP(=O)(O)O)N)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

Isomeric SMILES

CC[C@H]1C(=O)N(CC(=O)N([C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N([C@H](C(=O)N1)[C@@H]([C@H](C)C/C=C/C)OC(=O)[C@H]2CCCN2C(=O)[C@@H](COP(=O)(O)O)N)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

InChI

InChI=1S/C70H124N13O18P/c1-25-27-29-44(15)58(101-70(96)49-30-28-31-83(49)64(90)47(71)37-100-102(97,98)99)57-62(88)74-48(26-2)65(91)76(18)36-54(84)77(19)50(32-38(3)4)61(87)75-55(42(11)12)68(94)78(20)51(33-39(5)6)60(86)72-45(16)59(85)73-46(17)63(89)79(21)52(34-40(7)8)66(92)80(22)53(35-41(9)10)67(93)81(23)56(43(13)14)69(95)82(57)24/h25,27,38-53,55-58H,26,28-37,71H2,1-24H3,(H,72,86)(H,73,85)(H,74,88)(H,75,87)(H2,97,98,99)/b27-25+/t44-,45+,46+,47-,48+,49-,50+,51+,52+,53+,55+,56+,57+,58-/m1/s1