(2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate

C225H321ClN22O55S6 — CID 172918827

IUPAC(2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)C(C)C)cc1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)C(C)C)cc1)C(C)C.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)CC(=O)N/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2
InChIInChI=1S/C86H127N9O20S2.C83H121N7O19S2.C56H73ClN6O16S2/c1-18-54(8)79(71(111-16)47-75(104)94-40-23-28-66(94)81(112-17)56(10)67(97)43-55(9)80(106)59-25-20-19-21-26-59)92(14)83(108)65(51(2)3)46-70(100)78(53(6)7)93(15)85(110)114-50-58-30-32-61(33-31-58)90-82(107)60(27-22-39-88-84(87)109)44-69(99)77(52(4)5)91-72(101)38-42-116-117-86(12,13)48-62(96)49-89-57(11)64-35-34-63(45-68(64)98)113-41-24-29-76(105)115-95-73(102)36-37-74(95)103;1-19-52(8)77(69(105-17)45-73(99)89-38-23-27-64(89)79(106-18)55(11)65(92)41-53(9)78(101)58-25-21-20-22-26-58)87(15)81(103)63(49(2)3)44-68(95)76(51(6)7)88(16)82(104)108-48-57-29-31-59(32-30-57)85-80(102)54(10)42-67(94)75(50(4)5)86-70(96)37-40-110-111-83(13,14)46-60(91)47-84-56(12)62-34-33-61(43-66(62)93)107-39-24-28-74(100)109-90-71(97)35-36-72(90)98;1-31-14-12-15-42(74-11)56(73)29-41(76-53(72)58-56)33(3)51-55(8,78-51)43(28-48(69)62(10)39-26-36(24-31)25-32(2)50(39)57)77-52(71)35(5)61(9)45(66)21-23-80-81-54(6,7)30-44(65)60-59-34(4)38-18-17-37(27-40(38)64)75-22-13-16-49(70)79-63-46(67)19-20-47(63)68/h19-21,25-26,30-35,45,51-56,60,65-66,71,77-81,98,106H,18,22-24,27-29,36-44,46-50H2,1-17H3,(H,90,107)(H,91,101)(H3,87,88,109);20-22,25-26,29-34,43,49-55,63-64,69,75-79,93,101H,19,23-24,27-28,35-42,44-48H2,1-18H3,(H,85,102)(H,86,96);12,14-15,17-18,25-27,33,35,41-43,51,64,73H,13,16,19-24,28-30H2,1-11H3,(H,58,72)(H,60,65)/b89-57+;84-56+;15-12+,31-14+,59-34+/t54-,55-,56-,60?,65-,66-,71+,77-,78-,79-,80+,81+;52-,53-,54+,55-,63-,64-,69+,75-,76-,77-,78+,79+;33-,35+,41+,42-,43+,51+,55+,56+/m001/s1
InChIKeyJCVPBURYWBLQGT-DNJPJJANSA-N
MW4442.00 g/mol
LogP30.05
Rot. Bonds117

About (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate

(2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate (PubChem CID 172918827) has the molecular formula C225H321ClN22O55S6 and a molecular weight of 4442.00 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate
PubChem CID172918827
Molecular FormulaC225H321ClN22O55S6
Molecular Weight4442.00 g/mol
Exact Mass4438.10
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate
SMILESCC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)C(C)C)cc1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)C(C)C)cc1)C(C)C.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)CC(=O)N/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2
InChIInChI=1S/C86H127N9O20S2.C83H121N7O19S2.C56H73ClN6O16S2/c1-18-54(8)79(71(111-16)47-75(104)94-40-23-28-66(94)81(112-17)56(10)67(97)43-55(9)80(106)59-25-20-19-21-26-59)92(14)83(108)65(51(2)3)46-70(100)78(53(6)7)93(15)85(110)114-50-58-30-32-61(33-31-58)90-82(107)60(27-22-39-88-84(87)109)44-69(99)77(52(4)5)91-72(101)38-42-116-117-86(12,13)48-62(96)49-89-57(11)64-35-34-63(45-68(64)98)113-41-24-29-76(105)115-95-73(102)36-37-74(95)103;1-19-52(8)77(69(105-17)45-73(99)89-38-23-27-64(89)79(106-18)55(11)65(92)41-53(9)78(101)58-25-21-20-22-26-58)87(15)81(103)63(49(2)3)44-68(95)76(51(6)7)88(16)82(104)108-48-57-29-31-59(32-30-57)85-80(102)54(10)42-67(94)75(50(4)5)86-70(96)37-40-110-111-83(13,14)46-60(91)47-84-56(12)62-34-33-61(43-66(62)93)107-39-24-28-74(100)109-90-71(97)35-36-72(90)98;1-31-14-12-15-42(74-11)56(73)29-41(76-53(72)58-56)33(3)51-55(8,78-51)43(28-48(69)62(10)39-26-36(24-31)25-32(2)50(39)57)77-52(71)35(5)61(9)45(66)21-23-80-81-54(6,7)30-44(65)60-59-34(4)38-18-17-37(27-40(38)64)75-22-13-16-49(70)79-63-46(67)19-20-47(63)68/h19-21,25-26,30-35,45,51-56,60,65-66,71,77-81,98,106H,18,22-24,27-29,36-44,46-50H2,1-17H3,(H,90,107)(H,91,101)(H3,87,88,109);20-22,25-26,29-34,43,49-55,63-64,69,75-79,93,101H,19,23-24,27-28,35-42,44-48H2,1-18H3,(H,85,102)(H,86,96);12,14-15,17-18,25-27,33,35,41-43,51,64,73H,13,16,19-24,28-30H2,1-11H3,(H,58,72)(H,60,65)/b89-57+;84-56+;15-12+,31-14+,59-34+/t54-,55-,56-,60?,65-,66-,71+,77-,78-,79-,80+,81+;52-,53-,54+,55-,63-,64-,69+,75-,76-,77-,78+,79+;33-,35+,41+,42-,43+,51+,55+,56+/m001/s1
InChIKeyJCVPBURYWBLQGT-DNJPJJANSA-N
XLogP30.05
TPSA1018.62 Ų
H-Bond Donors14
H-Bond Acceptors64
Rotatable Bonds117
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004442.00
LogP ≤ 530.05
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1064

Analyze (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate with MolForge

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What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate (CID 172918827) is (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate is CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)C(CCCNC(N)=O)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)C(C)C)cc1)C(C)C.CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)C[C@H](C)[C@@H](O)c1ccccc1)OC)N(C)C(=O)[C@@H](CC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](C)CC(=O)[C@@H](NC(=O)CCSSC(C)(C)CC(=O)C/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)C(C)C)cc1)C(C)C.CO[C@@H]1/C=C/C=C(\C)Cc2cc(C)c(Cl)c(c2)N(C)C(=O)C[C@H](OC(=O)[C@H](C)N(C)C(=O)CCSSC(C)(C)CC(=O)N/N=C(\C)c2ccc(OCCCC(=O)ON3C(=O)CCC3=O)cc2O)[C@]2(C)O[C@H]2[C@H](C)[C@@H]2C[C@@]1(O)NC(=O)O2.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate?
The InChIKey is JCVPBURYWBLQGT-DNJPJJANSA-N. The full InChI is InChI=1S/C86H127N9O20S2.C83H121N7O19S2.C56H73ClN6O16S2/c1-18-54(8)79(71(111-16)47-75(104)94-40-23-28-66(94)81(112-17)56(10)67(97)43-55(9)80(106)59-25-20-19-21-26-59)92(14)83(108)65(51(2)3)46-70(100)78(53(6)7)93(15)85(110)114-50-58-30-32-61(33-31-58)90-82(107)60(27-22-39-88-84(87)109)44-69(99)77(52(4)5)91-72(101)38-42-116-117-86(12,13)48-62(96)49-89-57(11)64-35-34-63(45-68(64)98)113-41-24-29-76(105)115-95-73(102)36-37-74(95)103;1-19-52(8)77(69(105-17)45-73(99)89-38-23-27-64(89)79(106-18)55(11)65(92)41-53(9)78(101)58-25-21-20-22-26-58)87(15)81(103)63(49(2)3)44-68(95)76(51(6)7)88(16)82(104)108-48-57-29-31-59(32-30-57)85-80(102)54(10)42-67(94)75(50(4)5)86-70(96)37-40-110-111-83(13,14)46-60(91)47-84-56(12)62-34-33-61(43-66(62)93)107-39-24-28-74(100)109-90-71(97)35-36-72(90)98;1-31-14-12-15-42(74-11)56(73)29-41(76-53(72)58-56)33(3)51-55(8,78-51)43(28-48(69)62(10)39-26-36(24-31)25-32(2)50(39)57)77-52(71)35(5)61(9)45(66)21-23-80-81-54(6,7)30-44(65)60-59-34(4)38-18-17-37(27-40(38)64)75-22-13-16-49(70)79-63-46(67)19-20-47(63)68/h19-21,25-26,30-35,45,51-56,60,65-66,71,77-81,98,106H,18,22-24,27-29,36-44,46-50H2,1-17H3,(H,90,107)(H,91,101)(H3,87,88,109);20-22,25-26,29-34,43,49-55,63-64,69,75-79,93,101H,19,23-24,27-28,35-42,44-48H2,1-18H3,(H,85,102)(H,86,96);12,14-15,17-18,25-27,33,35,41-43,51,64,73H,13,16,19-24,28-30H2,1-11H3,(H,58,72)(H,60,65)/b89-57+;84-56+;15-12+,31-14+,59-34+/t54-,55-,56-,60?,65-,66-,71+,77-,78-,79-,80+,81+;52-,53-,54+,55-,63-,64-,69+,75-,76-,77-,78+,79+;33-,35+,41+,42-,43+,51+,55+,56+/m001/s1.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate?
(2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate has a molecular weight of 4442.00 g/mol, XLogP of 30.05, 117 rotatable bonds, 14 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 4-[4-[N-[4-[[3-[[(3S,6R)-9-(carbamoylamino)-6-[[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]phenyl]carbamoyl]-2-methyl-4-oxononan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[4-[(E)-N-[[3-[[3-[[(2S)-1-[[(1S,2R,3S,5S,6S,16E,18E,20R,21S)-11-chloro-21-hydroxy-20-methoxy-2,5,9,12,16-pentamethyl-8,23-dioxo-4,24-dioxa-9,22-diazatetracyclo[19.3.1.110,14.03,5]hexacosa-10,12,14(26),16,18-pentaen-6-yl]oxy]-1-oxopropan-2-yl]-methylamino]-3-oxopropyl]disulfanyl]-3-methylbutanoyl]amino]-C-methylcarbonimidoyl]-3-hydroxyphenoxy]butanoate;(2,5-dioxopyrrolidin-1-yl) 4-[3-hydroxy-4-[N-[4-[[3-[[(3S,6R)-7-[4-[[[(3S,6S)-6-[[(3R,4S,5S)-1-[(2S)-2-[(1R,2R,5S,6R)-6-hydroxy-1-methoxy-2,5-dimethyl-3-oxo-6-phenylhexyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylcarbamoyl]-2,7-dimethyl-4-oxooctan-3-yl]-methylcarbamoyl]oxymethyl]anilino]-2,6-dimethyl-4,7-dioxoheptan-3-yl]amino]-3-oxopropyl]disulfanyl]-4-methyl-2-oxopentyl]-C-methylcarbonimidoyl]phenoxy]butanoate is sourced from PubChem (CID 172918827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).