4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide

C112H158N20O35S4 — CID 159184245

About 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide

4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide (PubChem CID 159184245) has the molecular formula C112H158N20O35S4 and a molecular weight of 2472.87 g/mol. Its IUPAC name is 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide.

Molecular Properties

• Compound Name: 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide
• PubChem CID: 159184245
• Molecular Formula: C112H158N20O35S4
• Molecular Weight: 2472.87 g/mol
• Exact Mass: 2471.01
• IUPAC Name: 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide
• SMILES: CC[C@H](C)[C@@H]1CC(=O)CNC(=O)[C@H]2CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS(=O)c3[nH]c4c(CSC5CN(C(=O)CCNC(=O)C(C)CC(=O)O)C5)c(OC)ccc4c3C2)NC(=O)CNC1=O.CC[C@H](C)[C@@H]1CC(=O)CNC(=O)[C@H]2CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS(=O)c3[nH]c4c(CSC5CN(CC(=O)CCCCCN6C(=O)CC(C)C6=O)C5)c(OC)ccc4c3C2)NC(=O)CNC1=O
• InChI: InChI=1S/C58H82N10O17S2.C54H76N10O18S2/c1-6-29(2)38-17-34(71)20-60-52(78)32-15-39-37-11-12-46(85-5)40(27-86-36-24-66(25-36)22-33(70)10-8-7-9-13-67-49(77)14-30(3)57(67)82)51(37)65-56(39)87(84)28-42(62-48(76)21-61-53(38)79)54(80)63-41(19-47(59)75)58(83)68-23-35(72)18-43(68)55(81)64-50(44(73)16-32)31(4)45(74)26-69;1-6-25(2)33-14-29(66)17-57-49(76)28-12-34-32-7-8-41(82-5)35(23-83-31-20-63(21-31)44(72)9-10-56-48(75)26(3)11-45(73)74)47(32)62-53(34)84(81)24-37(59-43(71)18-58-50(33)77)51(78)60-36(16-42(55)70)54(80)64-19-30(67)15-38(64)52(79)61-46(39(68)13-28)27(4)40(69)22-65/h11-12,29-32,35-36,38,41-43,45,50,65,69,72,74H,6-10,13-28H2,1-5H3,(H2,59,75)(H,60,78)(H,61,79)(H,62,76)(H,63,80)(H,64,81);7-8,25-28,30-31,33,36-38,40,46,62,65,67,69H,6,9-24H2,1-5H3,(H2,55,70)(H,56,75)(H,57,76)(H,58,77)(H,59,71)(H,60,78)(H,61,79)(H,73,74)/t29-,30?,31-,32+,35+,38-,41-,42-,43-,45-,50-,87?;25-,26?,27-,28+,30+,33-,36-,37-,38-,40-,46-,84?/m00/s1
• InChIKey: KNGYJMPXILWXBL-URFLADGASA-N
• XLogP: -5.37
• TPSA: 836.04 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 37
• Rotatable Bonds: 36
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2472.87
LogP ≤ 5	-5.37
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide?

The IUPAC name of 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide (CID 159184245) is 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide.

What is the SMILES notation for 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide?

The canonical SMILES for 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide is CC[C@H](C)[C@@H]1CC(=O)CNC(=O)[C@H]2CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS(=O)c3[nH]c4c(CSC5CN(C(=O)CCNC(=O)C(C)CC(=O)O)C5)c(OC)ccc4c3C2)NC(=O)CNC1=O.CC[C@H](C)[C@@H]1CC(=O)CNC(=O)[C@H]2CC(=O)[C@H]([C@@H](C)[C@@H](O)CO)NC(=O)[C@@H]3C[C@@H](O)CN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS(=O)c3[nH]c4c(CSC5CN(CC(=O)CCCCCN6C(=O)CC(C)C6=O)C5)c(OC)ccc4c3C2)NC(=O)CNC1=O.

What is the InChIKey of 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide?

The InChIKey is KNGYJMPXILWXBL-URFLADGASA-N. The full InChI is InChI=1S/C58H82N10O17S2.C54H76N10O18S2/c1-6-29(2)38-17-34(71)20-60-52(78)32-15-39-37-11-12-46(85-5)40(27-86-36-24-66(25-36)22-33(70)10-8-7-9-13-67-49(77)14-30(3)57(67)82)51(37)65-56(39)87(84)28-42(62-48(76)21-61-53(38)79)54(80)63-41(19-47(59)75)58(83)68-23-35(72)18-43(68)55(81)64-50(44(73)16-32)31(4)45(74)26-69;1-6-25(2)33-14-29(66)17-57-49(76)28-12-34-32-7-8-41(82-5)35(23-83-31-20-63(21-31)44(72)9-10-56-48(75)26(3)11-45(73)74)47(32)62-53(34)84(81)24-37(59-43(71)18-58-50(33)77)51(78)60-36(16-42(55)70)54(80)64-19-30(67)15-38(64)52(79)61-46(39(68)13-28)27(4)40(69)22-65/h11-12,29-32,35-36,38,41-43,45,50,65,69,72,74H,6-10,13-28H2,1-5H3,(H2,59,75)(H,60,78)(H,61,79)(H,62,76)(H,63,80)(H,64,81);7-8,25-28,30-31,33,36-38,40,46,62,65,67,69H,6,9-24H2,1-5H3,(H2,55,70)(H,56,75)(H,57,76)(H,58,77)(H,59,71)(H,60,78)(H,61,79)(H,73,74)/t29-,30?,31-,32+,35+,38-,41-,42-,43-,45-,50-,87?;25-,26?,27-,28+,30+,33-,36-,37-,38-,40-,46-,84?/m00/s1.

What are the key properties of 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide?

4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide has a molecular weight of 2472.87 g/mol, XLogP of -5.37, 36 rotatable bonds, 22 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[3-[3-[[(1R,4S,8R,10S,13S,16R,34S)-4-(2-amino-2-oxoethyl)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-23-yl]methylsulfanyl]azetidin-1-yl]-3-oxopropyl]amino]-3-methyl-4-oxobutanoic acid;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-8-hydroxy-22-methoxy-23-[[1-[7-(3-methyl-2,5-dioxopyrrolidin-1-yl)-2-oxoheptyl]azetidin-3-yl]sulfanylmethyl]-2,5,11,14,27,30,33,36,39-nonaoxo-27λ4-thia-3,6,12,25,29,32,38-heptazapentacyclo[14.12.11.06,10.018,26.019,24]nonatriaconta-18(26),19(24),20,22-tetraen-4-yl]acetamide is sourced from PubChem (CID 159184245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).