2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid

C209H302N25O48PS — CID 158553003

IUPAC2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid
SMILESCc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC6CCCCC/C(=N\CCOCCOCCOCCOCCC(=O)NCCS(=O)(=O)O)C6=NN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N6Cc7ccccc7C#Cc7ccccc76)C(C)C)ccc5CC[C@@H]34)[C@@H]1CC2.Cc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC6CCCCC/C(=N\CCOCCOCCOCCOCCOCCP(=O)(O)O)C6=NN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N6Cc7ccccc7C#Cc7ccccc76)C(C)C)ccc5CC[C@@H]34)[C@@H]1CC2
InChIInChI=1S/C105H151N13O24S.C104H151N12O24P/c1-71(2)94(99(128)111-73(4)96(125)114-84(69-119)98(127)112-79-34-31-76-33-36-88-103(6,81(76)67-79)42-19-44-105(88,8)101(130)116-100(129)104(7)43-18-41-102(5)80-66-72(3)27-28-75(80)32-35-87(102)104)115-97(126)83(113-91(122)40-50-135-54-58-139-62-64-141-60-56-137-52-47-109-89(120)37-38-93(124)118-68-78-22-13-12-20-74(78)29-30-77-21-14-15-25-85(77)118)24-16-17-45-108-92(123)70-142-86-26-11-9-10-23-82(95(86)117-106)107-46-51-136-55-59-140-63-61-138-57-53-134-49-39-90(121)110-48-65-143(131,132)133;1-71(2)93(98(125)109-73(4)95(122)112-84(69-117)97(124)110-79-34-31-76-33-36-88-102(6,81(76)67-79)41-19-43-104(88,8)100(127)114-99(126)103(7)42-18-40-101(5)80-66-72(3)27-28-75(80)32-35-87(101)103)113-96(123)83(24-16-17-44-107-91(120)70-140-86-26-11-9-10-23-82(94(86)115-105)106-45-48-132-51-54-135-58-59-137-60-61-138-62-63-139-64-65-141(128,129)130)111-90(119)39-47-131-50-53-134-56-57-136-55-52-133-49-46-108-89(118)37-38-92(121)116-68-78-22-13-12-20-74(78)29-30-77-21-14-15-25-85(77)116/h12-15,20-22,25,27-28,31,34,66-67,71,73,83-84,86-88,94,119H,9-11,16-19,23-24,26,32-33,35-65,68-70,106H2,1-8H3,(H,108,123)(H,109,120)(H,110,121)(H,111,128)(H,112,127)(H,113,122)(H,114,125)(H,115,126)(H,116,129,130)(H,131,132,133);12-15,20-22,25,27-28,31,34,66-67,71,73,83-84,86-88,93,117H,9-11,16-19,23-24,26,32-33,35-65,68-70,105H2,1-8H3,(H,107,120)(H,108,118)(H,109,125)(H,110,124)(H,111,119)(H,112,122)(H,113,123)(H,114,126,127)(H2,128,129,130)/b107-82+,117-95?;106-82+,115-94?/t73-,83+,84-,86?,87+,88+,94-,102+,103+,104-,105-;73-,83+,84-,86?,87+,88+,93-,101+,102+,103-,104-/m00/s1
InChIKeyWVLGSUVPQPFZRC-IOGLBVFXSA-N
MW3995.88 g/mol
LogP14.91
Rot. Bonds114

About 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid

2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid (PubChem CID 158553003) has the molecular formula C209H302N25O48PS and a molecular weight of 3995.88 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid.

Molecular Properties

Compound Name2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid
PubChem CID158553003
Molecular FormulaC209H302N25O48PS
Molecular Weight3995.88 g/mol
Exact Mass3993.14
IUPAC Name2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid
SMILESCc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC6CCCCC/C(=N\CCOCCOCCOCCOCCC(=O)NCCS(=O)(=O)O)C6=NN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N6Cc7ccccc7C#Cc7ccccc76)C(C)C)ccc5CC[C@@H]34)[C@@H]1CC2.Cc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC6CCCCC/C(=N\CCOCCOCCOCCOCCOCCP(=O)(O)O)C6=NN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N6Cc7ccccc7C#Cc7ccccc76)C(C)C)ccc5CC[C@@H]34)[C@@H]1CC2
InChIInChI=1S/C105H151N13O24S.C104H151N12O24P/c1-71(2)94(99(128)111-73(4)96(125)114-84(69-119)98(127)112-79-34-31-76-33-36-88-103(6,81(76)67-79)42-19-44-105(88,8)101(130)116-100(129)104(7)43-18-41-102(5)80-66-72(3)27-28-75(80)32-35-87(102)104)115-97(126)83(113-91(122)40-50-135-54-58-139-62-64-141-60-56-137-52-47-109-89(120)37-38-93(124)118-68-78-22-13-12-20-74(78)29-30-77-21-14-15-25-85(77)118)24-16-17-45-108-92(123)70-142-86-26-11-9-10-23-82(95(86)117-106)107-46-51-136-55-59-140-63-61-138-57-53-134-49-39-90(121)110-48-65-143(131,132)133;1-71(2)93(98(125)109-73(4)95(122)112-84(69-117)97(124)110-79-34-31-76-33-36-88-102(6,81(76)67-79)41-19-43-104(88,8)100(127)114-99(126)103(7)42-18-40-101(5)80-66-72(3)27-28-75(80)32-35-87(101)103)113-96(123)83(24-16-17-44-107-91(120)70-140-86-26-11-9-10-23-82(94(86)115-105)106-45-48-132-51-54-135-58-59-137-60-61-138-62-63-139-64-65-141(128,129)130)111-90(119)39-47-131-50-53-134-56-57-136-55-52-133-49-46-108-89(118)37-38-92(121)116-68-78-22-13-12-20-74(78)29-30-77-21-14-15-25-85(77)116/h12-15,20-22,25,27-28,31,34,66-67,71,73,83-84,86-88,94,119H,9-11,16-19,23-24,26,32-33,35-65,68-70,106H2,1-8H3,(H,108,123)(H,109,120)(H,110,121)(H,111,128)(H,112,127)(H,113,122)(H,114,125)(H,115,126)(H,116,129,130)(H,131,132,133);12-15,20-22,25,27-28,31,34,66-67,71,73,83-84,86-88,93,117H,9-11,16-19,23-24,26,32-33,35-65,68-70,105H2,1-8H3,(H,107,120)(H,108,118)(H,109,125)(H,110,124)(H,111,119)(H,112,122)(H,113,123)(H,114,126,127)(H2,128,129,130)/b107-82+,117-95?;106-82+,115-94?/t73-,83+,84-,86?,87+,88+,94-,102+,103+,104-,105-;73-,83+,84-,86?,87+,88+,93-,101+,102+,103-,104-/m00/s1
InChIKeyWVLGSUVPQPFZRC-IOGLBVFXSA-N
XLogP14.91
TPSA998.67 Ų
H-Bond Donors24
H-Bond Acceptors51
Rotatable Bonds114
Heavy Atoms284
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003995.88
LogP ≤ 514.91
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1051

Analyze 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid?
The IUPAC name of 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid (CID 158553003) is 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid.
What is the SMILES notation for 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid?
The canonical SMILES for 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid is Cc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC6CCCCC/C(=N\CCOCCOCCOCCOCCC(=O)NCCS(=O)(=O)O)C6=NN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N6Cc7ccccc7C#Cc7ccccc76)C(C)C)ccc5CC[C@@H]34)[C@@H]1CC2.Cc1ccc2c(c1)[C@@]1(C)CCC[C@](C)(C(=O)NC(=O)[C@@]3(C)CCC[C@]4(C)c5cc(NC(=O)[C@H](CO)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](CCCCNC(=O)COC6CCCCC/C(=N\CCOCCOCCOCCOCCOCCP(=O)(O)O)C6=NN)NC(=O)CCOCCOCCOCCOCCNC(=O)CCC(=O)N6Cc7ccccc7C#Cc7ccccc76)C(C)C)ccc5CC[C@@H]34)[C@@H]1CC2.
What is the InChIKey of 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid?
The InChIKey is WVLGSUVPQPFZRC-IOGLBVFXSA-N. The full InChI is InChI=1S/C105H151N13O24S.C104H151N12O24P/c1-71(2)94(99(128)111-73(4)96(125)114-84(69-119)98(127)112-79-34-31-76-33-36-88-103(6,81(76)67-79)42-19-44-105(88,8)101(130)116-100(129)104(7)43-18-41-102(5)80-66-72(3)27-28-75(80)32-35-87(102)104)115-97(126)83(113-91(122)40-50-135-54-58-139-62-64-141-60-56-137-52-47-109-89(120)37-38-93(124)118-68-78-22-13-12-20-74(78)29-30-77-21-14-15-25-85(77)118)24-16-17-45-108-92(123)70-142-86-26-11-9-10-23-82(95(86)117-106)107-46-51-136-55-59-140-63-61-138-57-53-134-49-39-90(121)110-48-65-143(131,132)133;1-71(2)93(98(125)109-73(4)95(122)112-84(69-117)97(124)110-79-34-31-76-33-36-88-102(6,81(76)67-79)41-19-43-104(88,8)100(127)114-99(126)103(7)42-18-40-101(5)80-66-72(3)27-28-75(80)32-35-87(101)103)113-96(123)83(24-16-17-44-107-91(120)70-140-86-26-11-9-10-23-82(94(86)115-105)106-45-48-132-51-54-135-58-59-137-60-61-138-62-63-139-64-65-141(128,129)130)111-90(119)39-47-131-50-53-134-56-57-136-55-52-133-49-46-108-89(118)37-38-92(121)116-68-78-22-13-12-20-74(78)29-30-77-21-14-15-25-85(77)116/h12-15,20-22,25,27-28,31,34,66-67,71,73,83-84,86-88,94,119H,9-11,16-19,23-24,26,32-33,35-65,68-70,106H2,1-8H3,(H,108,123)(H,109,120)(H,110,121)(H,111,128)(H,112,127)(H,113,122)(H,114,125)(H,115,126)(H,116,129,130)(H,131,132,133);12-15,20-22,25,27-28,31,34,66-67,71,73,83-84,86-88,93,117H,9-11,16-19,23-24,26,32-33,35-65,68-70,105H2,1-8H3,(H,107,120)(H,108,118)(H,109,125)(H,110,124)(H,111,119)(H,112,122)(H,113,123)(H,114,126,127)(H2,128,129,130)/b107-82+,117-95?;106-82+,115-94?/t73-,83+,84-,86?,87+,88+,94-,102+,103+,104-,105-;73-,83+,84-,86?,87+,88+,93-,101+,102+,103-,104-/m00/s1.
What are the key properties of 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid?
2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid has a molecular weight of 3995.88 g/mol, XLogP of 14.91, 114 rotatable bonds, 24 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylphosphonic acid;2-[3-[2-[2-[2-[2-[[3-[2-[[(5R)-5-[3-[2-[2-[2-[2-[[4-(2-azatricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaen-10-yn-2-yl)-4-oxobutanoyl]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(4bS,8S,8aR)-8-[[(1S,4aS,10aR)-1,4a,6-trimethyl-2,3,4,9,10,10a-hexahydrophenanthrene-1-carbonyl]carbamoyl]-4b,8-dimethyl-5,6,7,8a,9,10-hexahydrophenanthren-3-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-6-oxohexyl]amino]-2-oxoethoxy]-2-hydrazinylidenecyclooctylidene]amino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]ethanesulfonic acid is sourced from PubChem (CID 158553003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).