(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

C122H161Cl3N12O18S3 — CID 146528657

About (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one

(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one (PubChem CID 146528657) has the molecular formula C122H161Cl3N12O18S3 and a molecular weight of 2286.26 g/mol. Its IUPAC name is (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one.

Molecular Properties

• Compound Name: (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
• PubChem CID: 146528657
• Molecular Formula: C122H161Cl3N12O18S3
• Molecular Weight: 2286.26 g/mol
• Exact Mass: 2283.03
• IUPAC Name: (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one
• SMILES: CO[C@@]1(CC(=O)N2CCN(CC3CCc4cc(Cl)ccc4[C@@]34COc3ccc5cc3N(C[C@@H]3CC[C@H]3[C@@](CC(=O)N3CCN(C)C[C@@H]3C)(OC)/C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC5=O)C4)C[C@H]2C)/C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CO3)c2ccc(Cl)cc2CCC1CN1CCN(C(=O)C[C@]2(OC)/C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4c(c3)N(CCCCc3cc(Cl)ccc3CO4)C[C@@H]3CC[C@H]32)[C@@H](C)C1
• InChI: InChI=1S/C122H161Cl3N12O18S3/c1-77-19-16-45-120(150-11,103-37-26-92(103)67-132-48-15-14-22-86-55-98(123)34-25-95(86)72-153-109-42-29-89(58-106(109)132)115(141)126-156(144,145)83(77)7)62-113(139)136-53-50-130(65-81(136)5)70-96-32-23-88-57-100(125)36-41-102(88)119(96)74-134-69-94-28-39-105(94)122(152-13,47-18-21-79(3)85(9)158(148,149)128-117(143)91-31-44-111(155-76-119)108(134)60-91)63-114(140)137-54-51-131(66-82(137)6)71-97-33-24-87-56-99(124)35-40-101(87)118(97)73-133-68-93-27-38-104(93)121(151-12,61-112(138)135-52-49-129(10)64-80(135)4)46-17-20-78(2)84(8)157(146,147)127-116(142)90-30-43-110(154-75-118)107(133)59-90/h16-18,25,29-31,34-36,40-47,55-60,77-85,92-94,96-97,103-105H,14-15,19-24,26-28,32-33,37-39,48-54,61-76H2,1-13H3,(H,126,141)(H,127,142)(H,128,143)/b45-16-,46-17-,47-18-/t77-,78-,79-,80-,81-,82+,83+,84+,85+,92-,93-,94-,96?,97?,103+,104+,105+,118-,119-,120+,121+,122+/m0/s1
• InChIKey: WPCFIGHDSSWKKQ-RIOZAGIRSA-N
• XLogP: 16.93
• TPSA: 325.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 13
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2286.26
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The IUPAC name of (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one (CID 146528657) is (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one.

What is the SMILES notation for (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The canonical SMILES for (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one is CO[C@@]1(CC(=O)N2CCN(CC3CCc4cc(Cl)ccc4[C@@]34COc3ccc5cc3N(C[C@@H]3CC[C@H]3[C@@](CC(=O)N3CCN(C)C[C@@H]3C)(OC)/C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC5=O)C4)C[C@H]2C)/C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c2ccc3c(c2)N(C[C@@H]2CC[C@H]21)C[C@@]1(CO3)c2ccc(Cl)cc2CCC1CN1CCN(C(=O)C[C@]2(OC)/C=C\C[C@H](C)[C@@H](C)S(=O)(=O)NC(=O)c3ccc4c(c3)N(CCCCc3cc(Cl)ccc3CO4)C[C@@H]3CC[C@H]32)[C@@H](C)C1.

What is the InChIKey of (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

The InChIKey is WPCFIGHDSSWKKQ-RIOZAGIRSA-N. The full InChI is InChI=1S/C122H161Cl3N12O18S3/c1-77-19-16-45-120(150-11,103-37-26-92(103)67-132-48-15-14-22-86-55-98(123)34-25-95(86)72-153-109-42-29-89(58-106(109)132)115(141)126-156(144,145)83(77)7)62-113(139)136-53-50-130(65-81(136)5)70-96-32-23-88-57-100(125)36-41-102(88)119(96)74-134-69-94-28-39-105(94)122(152-13,47-18-21-79(3)85(9)158(148,149)128-117(143)91-31-44-111(155-76-119)108(134)60-91)63-114(140)137-54-51-131(66-82(137)6)71-97-33-24-87-56-99(124)35-40-101(87)118(97)73-133-68-93-27-38-104(93)121(151-12,61-112(138)135-52-49-129(10)64-80(135)4)46-17-20-78(2)84(8)157(146,147)127-116(142)90-30-43-110(154-75-118)107(133)59-90/h16-18,25,29-31,34-36,40-47,55-60,77-85,92-94,96-97,103-105H,14-15,19-24,26-28,32-33,37-39,48-54,61-76H2,1-13H3,(H,126,141)(H,127,142)(H,128,143)/b45-16-,46-17-,47-18-/t77-,78-,79-,80-,81-,82+,83+,84+,85+,92-,93-,94-,96?,97?,103+,104+,105+,118-,119-,120+,121+,122+/m0/s1.

What are the key properties of (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one?

(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one has a molecular weight of 2286.26 g/mol, XLogP of 16.93, 13 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for (3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3R)-4-[2-[(3'R,4S,6'R,7'S,8'E,11'S,12'R)-7-chloro-3-[[(3S)-4-[2-[(19R,22R,23S,24E,27S,28R)-10-chloro-23-methoxy-27,28-dimethyl-29,29,31-trioxo-5-oxa-29λ6-thia-17,30-diazapentacyclo[15.14.2.04,33.07,12.019,22]tritriaconta-1(32),2,4(33),7(12),8,10,24-heptaen-23-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-methoxy-11',12'-dimethyl-13',13',15'-trioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-7'-yl]acetyl]-3-methylpiperazin-1-yl]methyl]-7'-[2-[(2S)-2,4-dimethylpiperazin-1-yl]-2-oxoethyl]-7'-methoxy-11',12'-dimethyl-13',13'-dioxospiro[2,3-dihydro-1H-naphthalene-4,22'-20-oxa-13λ6-thia-1,14-diazatetracyclo[14.7.2.03,6.019,24]pentacosa-8,16(25),17,19(24)-tetraene]-15'-one is sourced from PubChem (CID 146528657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).