(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide

C195H233F3N24O54 — CID 159279511

IUPAC(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CN)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=C(C)C1=O)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CC3.O=C(CCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C64H77FN8O17.C63H75FN8O17.C45H49FN6O9.C23H32N2O11/c1-4-64(85)45-33-50-60-43(36-73(50)62(83)44(45)37-90-63(64)84)59-47(14-13-42-39(3)46(65)34-49(71-60)58(42)59)69-55(79)11-8-20-66-52(76)17-15-51(75)48(32-40-9-6-5-7-10-40)70-56(80)16-12-41(74)35-68-54(78)19-23-86-25-27-88-29-30-89-28-26-87-24-21-67-53(77)18-22-72-57(81)31-38(2)61(72)82;1-3-63(84)44-33-49-60-42(36-72(49)61(82)43(44)37-89-62(63)83)59-46(13-12-41-38(2)45(64)34-48(70-60)58(41)59)68-54(78)10-7-21-65-51(75)16-14-50(74)47(32-39-8-5-4-6-9-39)69-55(79)15-11-40(73)35-67-53(77)20-24-85-26-28-87-30-31-88-29-27-86-25-22-66-52(76)19-23-71-56(80)17-18-57(71)81;1-3-45(60)30-19-35-42-28(22-52(35)43(58)29(30)23-61-44(45)59)41-32(13-12-27-24(2)31(46)20-34(51-42)40(27)41)49-38(56)10-7-17-48-37(55)16-14-36(54)33(18-25-8-5-4-6-9-25)50-39(57)15-11-26(53)21-47;26-18(7-9-24-19(27)3-4-20(24)28)2-1-10-32-12-14-34-16-17-35-15-13-33-11-8-23(31)36-25-21(29)5-6-22(25)30/h5-7,9-10,31,33-34,47-48,85H,4,8,11-30,32,35-37H2,1-3H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,80);4-6,8-9,17-18,33-34,46-47,84H,3,7,10-16,19-32,35-37H2,1-2H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,79);4-6,8-9,19-20,32-33,60H,3,7,10-18,21-23,47H2,1-2H3,(H,48,55)(H,49,56)(H,50,57);3-4H,1-2,5-17H2/t47-,48-,64-;46-,47-,63-;32-,33-,45-;/m000./s1
InChIKeyKYSSGRYKCVMDGM-LSCPHOEXSA-N
MW3834.12 g/mol
LogP6.93
Rot. Bonds109

About (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide

(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide (PubChem CID 159279511) has the molecular formula C195H233F3N24O54 and a molecular weight of 3834.12 g/mol. Its IUPAC name is (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide.

Molecular Properties

Compound Name(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide
PubChem CID159279511
Molecular FormulaC195H233F3N24O54
Molecular Weight3834.12 g/mol
Exact Mass3831.62
IUPAC Name(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide
SMILESCC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CN)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=C(C)C1=O)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CC3.O=C(CCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O
InChIInChI=1S/C64H77FN8O17.C63H75FN8O17.C45H49FN6O9.C23H32N2O11/c1-4-64(85)45-33-50-60-43(36-73(50)62(83)44(45)37-90-63(64)84)59-47(14-13-42-39(3)46(65)34-49(71-60)58(42)59)69-55(79)11-8-20-66-52(76)17-15-51(75)48(32-40-9-6-5-7-10-40)70-56(80)16-12-41(74)35-68-54(78)19-23-86-25-27-88-29-30-89-28-26-87-24-21-67-53(77)18-22-72-57(81)31-38(2)61(72)82;1-3-63(84)44-33-49-60-42(36-72(49)61(82)43(44)37-89-62(63)83)59-46(13-12-41-38(2)45(64)34-48(70-60)58(41)59)68-54(78)10-7-21-65-51(75)16-14-50(74)47(32-39-8-5-4-6-9-39)69-55(79)15-11-40(73)35-67-53(77)20-24-85-26-28-87-30-31-88-29-27-86-25-22-66-52(76)19-23-71-56(80)17-18-57(71)81;1-3-45(60)30-19-35-42-28(22-52(35)43(58)29(30)23-61-44(45)59)41-32(13-12-27-24(2)31(46)20-34(51-42)40(27)41)49-38(56)10-7-17-48-37(55)16-14-36(54)33(18-25-8-5-4-6-9-25)50-39(57)15-11-26(53)21-47;26-18(7-9-24-19(27)3-4-20(24)28)2-1-10-32-12-14-34-16-17-35-15-13-33-11-8-23(31)36-25-21(29)5-6-22(25)30/h5-7,9-10,31,33-34,47-48,85H,4,8,11-30,32,35-37H2,1-3H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,80);4-6,8-9,17-18,33-34,46-47,84H,3,7,10-16,19-32,35-37H2,1-2H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,79);4-6,8-9,19-20,32-33,60H,3,7,10-18,21-23,47H2,1-2H3,(H,48,55)(H,49,56)(H,50,57);3-4H,1-2,5-17H2/t47-,48-,64-;46-,47-,63-;32-,33-,45-;/m000./s1
InChIKeyKYSSGRYKCVMDGM-LSCPHOEXSA-N
XLogP6.93
TPSA1054.65 Ų
H-Bond Donors17
H-Bond Acceptors61
Rotatable Bonds109
Heavy Atoms276
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003834.12
LogP ≤ 56.93
H-Bond Donors ≤ 517
H-Bond Acceptors ≤ 1061

Analyze (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide with MolForge

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Related Compounds

(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 6-(2,5-dioxopyrrol-1-yl)hexanoate;(5S)-5-[[5-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-6-oxohexyl]-4-oxo-6-phenylhexanamide;(5S)-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-6-oxohexyl]-5-[[5-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide
CID 158561494
(3S)-3-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-[[2-[[2-[[(2S)-1-[[2-[[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 126512142
(2R)-5-[(2-aminoacetyl)amino]-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-5-[[6-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]-4-oxohexanoyl]amino]-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-4-oxopentanamide;(2R)-2-benzyl-N-[6-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2,6-dioxohexyl]-5-[[6-[2-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)-4-oxohexoxy]ethoxy]-4-oxohexanoyl]amino]-4-oxopentanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]propanoate
CID 159165376
(5S)-5-[[5-[(2-bromoacetyl)amino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-5-[[4-oxo-5-(propanoylamino)pentanoyl]amino]-6-phenylhexanamide
CID 157228208
(3S)-3-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-[[2-[[2-[[(2S)-1-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 126512294
2-[2-[6-(2,5-dioxopyrrol-1-yl)hexanoylamino]ethyl-[2-[[5-[[(2S)-6-[[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]amino]-2-oxoethyl]amino]acetic acid
CID 157090050
tert-butyl (3S)-3-[3-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]propanoylamino]-4-[[2-[[2-[[(2S)-1-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 140771600
tert-butyl (3S)-3-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-[[2-[[2-[[(2S)-1-[[2-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoate
CID 140771614
(3S)-3-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]-4-[[2-[[2-[[(2S)-1-[[2-[[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-4-oxobutanoic acid
CID 126512028
tert-butyl (3S)-10-(2,5-dioxopyrrol-1-yl)-3-[[5-[[(2S)-6-[[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]amino]-3,6-dioxo-1-phenylhexan-2-yl]amino]-2,5-dioxopentyl]carbamoyl]-5-oxodecanoate
CID 157439840
(5R)-5-[(5-amino-4-oxopentanoyl)amino]-N-[(10S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]-4-oxo-6-phenylhexanamide
CID 163956227
(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[2-[2-[2-[2-[3-[[2-[[2-[[(2S)-1-[[2-[[2-[[(10R,23R)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-2-oxoethoxy]methylamino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 175647913

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?
The IUPAC name of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide (CID 159279511) is (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide.
What is the SMILES notation for (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?
The canonical SMILES for (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide is CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CN)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=C(C)C1=O)CC3.CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2c-1nc1cc(F)c(C)c3c1c2[C@@H](NC(=O)CCCNC(=O)CCC(=O)[C@H](Cc1ccccc1)NC(=O)CCC(=O)CNC(=O)CCOCCOCCOCCOCCNC(=O)CCN1C(=O)C=CC1=O)CC3.O=C(CCCOCCOCCOCCOCCC(=O)ON1C(=O)CCC1=O)CCN1C(=O)C=CC1=O.
What is the InChIKey of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?
The InChIKey is KYSSGRYKCVMDGM-LSCPHOEXSA-N. The full InChI is InChI=1S/C64H77FN8O17.C63H75FN8O17.C45H49FN6O9.C23H32N2O11/c1-4-64(85)45-33-50-60-43(36-73(50)62(83)44(45)37-90-63(64)84)59-47(14-13-42-39(3)46(65)34-49(71-60)58(42)59)69-55(79)11-8-20-66-52(76)17-15-51(75)48(32-40-9-6-5-7-10-40)70-56(80)16-12-41(74)35-68-54(78)19-23-86-25-27-88-29-30-89-28-26-87-24-21-67-53(77)18-22-72-57(81)31-38(2)61(72)82;1-3-63(84)44-33-49-60-42(36-72(49)61(82)43(44)37-89-62(63)83)59-46(13-12-41-38(2)45(64)34-48(70-60)58(41)59)68-54(78)10-7-21-65-51(75)16-14-50(74)47(32-39-8-5-4-6-9-39)69-55(79)15-11-40(73)35-67-53(77)20-24-85-26-28-87-30-31-88-29-27-86-25-22-66-52(76)19-23-71-56(80)17-18-57(71)81;1-3-45(60)30-19-35-42-28(22-52(35)43(58)29(30)23-61-44(45)59)41-32(13-12-27-24(2)31(46)20-34(51-42)40(27)41)49-38(56)10-7-17-48-37(55)16-14-36(54)33(18-25-8-5-4-6-9-25)50-39(57)15-11-26(53)21-47;26-18(7-9-24-19(27)3-4-20(24)28)2-1-10-32-12-14-34-16-17-35-15-13-33-11-8-23(31)36-25-21(29)5-6-22(25)30/h5-7,9-10,31,33-34,47-48,85H,4,8,11-30,32,35-37H2,1-3H3,(H,66,76)(H,67,77)(H,68,78)(H,69,79)(H,70,80);4-6,8-9,17-18,33-34,46-47,84H,3,7,10-16,19-32,35-37H2,1-2H3,(H,65,75)(H,66,76)(H,67,77)(H,68,78)(H,69,79);4-6,8-9,19-20,32-33,60H,3,7,10-18,21-23,47H2,1-2H3,(H,48,55)(H,49,56)(H,50,57);3-4H,1-2,5-17H2/t47-,48-,64-;46-,47-,63-;32-,33-,45-;/m000./s1.
What are the key properties of (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide?
(5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide has a molecular weight of 3834.12 g/mol, XLogP of 6.93, 109 rotatable bonds, 17 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(5-amino-4-oxopentanoyl)amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(2,5-dioxopyrrolidin-1-yl) 3-[2-[2-[2-[6-(2,5-dioxopyrrol-1-yl)-4-oxohexoxy]ethoxy]ethoxy]ethoxy]propanoate;(5S)-5-[[5-[3-[2-[2-[2-[2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-4-oxo-6-phenylhexanamide;(5S)-N-[4-[[(10S,23S)-10-ethyl-18-fluoro-10-hydroxy-19-methyl-5,9-dioxo-8-oxa-4,15-diazahexacyclo[14.7.1.02,14.04,13.06,11.020,24]tetracosa-1,6(11),12,14,16,18,20(24)-heptaen-23-yl]amino]-4-oxobutyl]-5-[[5-[3-[2-[2-[2-[2-[3-(3-methyl-2,5-dioxopyrrol-1-yl)propanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxopentanoyl]amino]-4-oxo-6-phenylhexanamide is sourced from PubChem (CID 159279511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).