(4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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

C139H208N26O45S4 — CID 167551014

About (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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

(4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 167551014) has the molecular formula C139H208N26O45S4 and a molecular weight of 3091.60 g/mol. Its IUPAC name is (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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: (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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: 167551014
• Molecular Formula: C139H208N26O45S4
• Molecular Weight: 3091.60 g/mol
• Exact Mass: 3089.37
• IUPAC Name: (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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](CC(=O)[C@@H](NC=O)[C@@H](C)[C@@H](O)CO)Cc2c([nH]c3c(CSCCCCNC(=O)NCCOCCOCCOCCOCCOCCOCCOCCn4cc(CN5C(=O)C=CC5=O)nn4)c(OC)ccc23)S(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CC[C@@H](C)C2)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](C)CN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS(=O)c3[nH]c4c(CSCCOCCOCCOCCOCCOCCOCCOCCn5cc(CN6C(=O)C=CC6=O)nn5)c(OC)ccc4c3C2)NC(=O)CNC1=O
• InChI: InChI=1S/C72H110N14O23S2.C67H98N12O22S2/c1-6-47(3)53-35-51(89)37-76-67(96)49(34-58(90)65(78-45-88)48(4)59(91)42-87)33-54-52-9-10-60(102-5)55(66(52)81-70(54)111(101)44-57(79-62(93)38-77-68(53)97)69(98)80-56(36-61(73)92)71(99)84-16-13-46(2)39-84)43-110-32-8-7-14-74-72(100)75-15-18-103-20-22-105-24-26-107-28-30-109-31-29-108-27-25-106-23-21-104-19-17-85-40-50(82-83-85)41-86-63(94)11-12-64(86)95;1-6-41(3)47-30-45(81)32-69-62(88)43-28-48-46-7-8-55(94-5)49(38-102-26-25-101-24-23-100-22-21-99-20-19-98-18-17-97-16-15-96-14-13-95-12-11-77-35-44(75-76-77)36-79-58(86)9-10-59(79)87)61(46)74-66(48)103(93)39-51(71-57(85)33-70-63(47)89)64(90)72-50(31-56(68)84)67(92)78-34-40(2)27-52(78)65(91)73-60(53(82)29-43)42(4)54(83)37-80/h9-12,40,45-49,53,56-57,59,65,81,87,91H,6-8,13-39,41-44H2,1-5H3,(H2,73,92)(H,76,96)(H,77,97)(H,78,88)(H,79,93)(H,80,98)(H2,74,75,100);7-10,35,40-43,47,50-52,54,60,74,80,83H,6,11-34,36-39H2,1-5H3,(H2,68,84)(H,69,88)(H,70,89)(H,71,85)(H,72,90)(H,73,91)/t46-,47+,48+,49-,53+,56+,57+,59+,65+,111?;40-,41+,42+,43-,47+,50+,51+,52+,54+,60+,103?/m11/s1
• InChIKey: CKCAMECPTQQSLL-PHAHHZDUSA-N
• XLogP: -3.86
• TPSA: 957.71 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 53
• Rotatable Bonds: 85
• Heavy Atoms: 214
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3091.60
LogP ≤ 5	-3.86
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	53

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 167551014) is (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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](CC(=O)[C@@H](NC=O)[C@@H](C)[C@@H](O)CO)Cc2c([nH]c3c(CSCCCCNC(=O)NCCOCCOCCOCCOCCOCCOCCOCCn4cc(CN5C(=O)C=CC5=O)nn4)c(OC)ccc23)S(=O)C[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N2CC[C@@H](C)C2)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](C)CN3C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS(=O)c3[nH]c4c(CSCCOCCOCCOCCOCCOCCOCCOCCn5cc(CN6C(=O)C=CC6=O)nn5)c(OC)ccc4c3C2)NC(=O)CNC1=O.

What is the InChIKey of (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 CKCAMECPTQQSLL-PHAHHZDUSA-N. The full InChI is InChI=1S/C72H110N14O23S2.C67H98N12O22S2/c1-6-47(3)53-35-51(89)37-76-67(96)49(34-58(90)65(78-45-88)48(4)59(91)42-87)33-54-52-9-10-60(102-5)55(66(52)81-70(54)111(101)44-57(79-62(93)38-77-68(53)97)69(98)80-56(36-61(73)92)71(99)84-16-13-46(2)39-84)43-110-32-8-7-14-74-72(100)75-15-18-103-20-22-105-24-26-107-28-30-109-31-29-108-27-25-106-23-21-104-19-17-85-40-50(82-83-85)41-86-63(94)11-12-64(86)95;1-6-41(3)47-30-45(81)32-69-62(88)43-28-48-46-7-8-55(94-5)49(38-102-26-25-101-24-23-100-22-21-99-20-19-98-18-17-97-16-15-96-14-13-95-12-11-77-35-44(75-76-77)36-79-58(86)9-10-59(79)87)61(46)74-66(48)103(93)39-51(71-57(85)33-70-63(47)89)64(90)72-50(31-56(68)84)67(92)78-34-40(2)27-52(78)65(91)73-60(53(82)29-43)42(4)54(83)37-80/h9-12,40,45-49,53,56-57,59,65,81,87,91H,6-8,13-39,41-44H2,1-5H3,(H2,73,92)(H,76,96)(H,77,97)(H,78,88)(H,79,93)(H,80,98)(H2,74,75,100);7-10,35,40-43,47,50-52,54,60,74,80,83H,6,11-34,36-39H2,1-5H3,(H2,68,84)(H,69,88)(H,70,89)(H,71,85)(H,72,90)(H,73,91)/t46-,47+,48+,49-,53+,56+,57+,59+,65+,111?;40-,41+,42+,43-,47+,50+,51+,52+,54+,60+,103?/m11/s1.

What are the key properties of (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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?

(4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 3091.60 g/mol, XLogP of -3.86, 85 rotatable bonds, 20 hydrogen bond donors, and 53 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,10S,16R)-N-[(2S)-4-amino-1-[(3R)-3-methylpyrrolidin-1-yl]-1,4-dioxobutan-2-yl]-10-[(2S)-butan-2-yl]-23-[4-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoylamino]butylsulfanylmethyl]-16-[(3S,4R,5R)-3-formamido-5,6-dihydroxy-4-methyl-2-oxohexyl]-22-methoxy-2,6,9,12,15-pentaoxo-2λ4-thia-5,8,14,25-tetrazatricyclo[16.7.0.019,24]pentacosa-1(18),19(24),20,22-tetraene-4-carboxamide;2-[(1R,4S,8R,10S,13S,16R,34S)-34-[(2S)-butan-2-yl]-13-[(2R,3R)-3,4-dihydroxybutan-2-yl]-23-[2-[2-[2-[2-[2-[2-[2-[2-[4-[(2,5-dioxopyrrol-1-yl)methyl]triazol-1-yl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylsulfanylmethyl]-22-methoxy-8-methyl-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 167551014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).