4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide

C123H184N22O36S4 — CID 161391497

About 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide

4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide (PubChem CID 161391497) has the molecular formula C123H184N22O36S4 and a molecular weight of 2675.21 g/mol. Its IUPAC name is 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide.

Molecular Properties

• Compound Name: 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide
• PubChem CID: 161391497
• Molecular Formula: C123H184N22O36S4
• Molecular Weight: 2675.21 g/mol
• Exact Mass: 2673.21
• IUPAC Name: 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide
• 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(CSCCCCNC(=O)CCCCCNC(=O)CCCCCN5C(=O)CC(C)C5=O)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(CSCCCCNC(=O)NCCCCCCNC(=O)CC(C)C(=O)O)c(OC)ccc4c3C2)NC(=O)CNC1=O
• InChI: InChI=1S/C64H95N11O18S2.C59H89N11O18S2/c1-6-35(2)42-26-39(77)29-68-58(86)38-24-43-41-17-18-50(93-5)44(33-94-22-14-12-20-67-52(82)15-9-7-11-19-66-53(83)16-10-8-13-21-74-55(85)23-36(3)63(74)90)57(41)73-62(43)95(92)34-46(70-54(84)30-69-59(42)87)60(88)71-45(28-51(65)81)64(91)75-31-40(78)27-47(75)61(89)72-56(48(79)25-38)37(4)49(80)32-76;1-6-31(2)38-22-35(72)25-64-52(79)34-20-39-37-13-14-46(88-5)40(29-89-18-12-11-17-63-59(86)62-16-10-8-7-9-15-61-48(77)19-32(3)58(84)85)51(37)69-56(39)90(87)30-42(66-49(78)26-65-53(38)80)54(81)67-41(24-47(60)76)57(83)70-27-36(73)23-43(70)55(82)68-50(44(74)21-34)33(4)45(75)28-71/h17-18,35-38,40,42,45-47,49,56,73,76,78,80H,6-16,19-34H2,1-5H3,(H2,65,81)(H,66,83)(H,67,82)(H,68,86)(H,69,87)(H,70,84)(H,71,88)(H,72,89);13-14,31-34,36,38,41-43,45,50,69,71,73,75H,6-12,15-30H2,1-5H3,(H2,60,76)(H,61,77)(H,64,79)(H,65,80)(H,66,78)(H,67,81)(H,68,82)(H,84,85)(H2,62,63,86)/t35-,36?,37-,38+,40+,42-,45-,46-,47-,49-,56-,95?;31-,32?,33-,34+,36+,38-,41-,42-,43-,45-,50-,90?/m00/s1
• InChIKey: VTAVTKIVKVNVDA-PCQGEIPLSA-N
• XLogP: -2.01
• TPSA: 894.75 Ų
• H-Bond Donors: 26
• H-Bond Acceptors: 37
• Rotatable Bonds: 52
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2675.21
LogP ≤ 5	-2.01
H-Bond Donors ≤ 5	26
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-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide?

The IUPAC name of 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide (CID 161391497) is 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide.

What is the SMILES notation for 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide?

The canonical SMILES for 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide 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(CSCCCCNC(=O)CCCCCNC(=O)CCCCCN5C(=O)CC(C)C5=O)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(CSCCCCNC(=O)NCCCCCCNC(=O)CC(C)C(=O)O)c(OC)ccc4c3C2)NC(=O)CNC1=O.

What is the InChIKey of 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide?

The InChIKey is VTAVTKIVKVNVDA-PCQGEIPLSA-N. The full InChI is InChI=1S/C64H95N11O18S2.C59H89N11O18S2/c1-6-35(2)42-26-39(77)29-68-58(86)38-24-43-41-17-18-50(93-5)44(33-94-22-14-12-20-67-52(82)15-9-7-11-19-66-53(83)16-10-8-13-21-74-55(85)23-36(3)63(74)90)57(41)73-62(43)95(92)34-46(70-54(84)30-69-59(42)87)60(88)71-45(28-51(65)81)64(91)75-31-40(78)27-47(75)61(89)72-56(48(79)25-38)37(4)49(80)32-76;1-6-31(2)38-22-35(72)25-64-52(79)34-20-39-37-13-14-46(88-5)40(29-89-18-12-11-17-63-59(86)62-16-10-8-7-9-15-61-48(77)19-32(3)58(84)85)51(37)69-56(39)90(87)30-42(66-49(78)26-65-53(38)80)54(81)67-41(24-47(60)76)57(83)70-27-36(73)23-43(70)55(82)68-50(44(74)21-34)33(4)45(75)28-71/h17-18,35-38,40,42,45-47,49,56,73,76,78,80H,6-16,19-34H2,1-5H3,(H2,65,81)(H,66,83)(H,67,82)(H,68,86)(H,69,87)(H,70,84)(H,71,88)(H,72,89);13-14,31-34,36,38,41-43,45,50,69,71,73,75H,6-12,15-30H2,1-5H3,(H2,60,76)(H,61,77)(H,64,79)(H,65,80)(H,66,78)(H,67,81)(H,68,82)(H,84,85)(H2,62,63,86)/t35-,36?,37-,38+,40+,42-,45-,46-,47-,49-,56-,95?;31-,32?,33-,34+,36+,38-,41-,42-,43-,45-,50-,90?/m00/s1.

What are the key properties of 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide?

4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide has a molecular weight of 2675.21 g/mol, XLogP of -2.01, 52 rotatable bonds, 26 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-[4-[[(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]butylcarbamoylamino]hexylamino]-2-methyl-4-oxobutanoic acid;N-[4-[[(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]butyl]-6-[6-(3-methyl-2,5-dioxopyrrolidin-1-yl)hexanoylamino]hexanamide is sourced from PubChem (CID 161391497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).