(3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid

C135H203Cl2N31O45S4 — CID 170982659

About (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid

(3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid (PubChem CID 170982659) has the molecular formula C135H203Cl2N31O45S4 and a molecular weight of 3179.45 g/mol. Its IUPAC name is (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid
• PubChem CID: 170982659
• Molecular Formula: C135H203Cl2N31O45S4
• Molecular Weight: 3179.45 g/mol
• Exact Mass: 3176.28
• IUPAC Name: (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid
• SMILES: CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCc2cn(CCCCCC(=O)NC(COCCC(=O)NCCOCCOCCOCCOC[C@@]34CO[C@@H](O3)[C@H](Nc3nc(Cl)ns3)[C@@H](O)[C@H]4O)COCCC(=O)NCCOCCOCCOCCOC[C@@]34CO[C@@H](O3)[C@H](Nc3nc(Cl)ns3)[C@@H](O)[C@H]4O)nn2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O
• InChI: InChI=1S/C135H203Cl2N31O45S4/c1-77(2)57-92-118(186)145-66-105(175)149-91(24-25-106(176)177)119(187)153-93(58-78(3)4)124(192)158-108(79(5)6)127(195)155-95(60-83-64-144-90-21-14-12-19-88(83)90)121(189)157-99(126(194)159-109(81(8)169)116(138)184)71-215-214-70-98(125(193)147-80(7)117(185)151-94(59-82-63-143-89-20-13-11-18-87(82)89)120(188)154-96(122(190)152-92)61-85-65-139-76-146-85)156-123(191)97(62-107(178)179)150-104(174)28-33-196-39-43-200-47-48-201-44-40-197-36-29-140-100(170)23-16-17-84-67-168(167-164-84)32-15-9-10-22-103(173)148-86(68-206-34-26-101(171)141-30-37-198-41-45-202-49-51-204-53-55-208-72-134-74-210-128(212-134)110(112(180)114(134)182)160-132-162-130(136)165-216-132)69-207-35-27-102(172)142-31-38-199-42-46-203-50-52-205-54-56-209-73-135-75-211-129(213-135)111(113(181)115(135)183)161-133-163-131(137)166-217-133/h11-14,18-21,63-65,67,76-81,86,91-99,108-115,128-129,143-144,169,180-183H,9-10,15-17,22-62,66,68-75H2,1-8H3,(H2,138,184)(H,139,146)(H,140,170)(H,141,171)(H,142,172)(H,145,186)(H,147,193)(H,148,173)(H,149,175)(H,150,174)(H,151,185)(H,152,190)(H,153,187)(H,154,188)(H,155,195)(H,156,191)(H,157,189)(H,158,192)(H,159,194)(H,176,177)(H,178,179)(H,160,162,165)(H,161,163,166)/t80-,81+,91-,92-,93+,94+,95-,96-,97-,98-,99-,108-,109-,110+,111+,112+,113+,114+,115+,128-,129-,134-,135-/m0/s1
• InChIKey: ZDBCGMDLGGRORB-GPBUSPEKSA-N
• XLogP: -4.22
• TPSA: 1046.27 Ų
• H-Bond Donors: 30
• H-Bond Acceptors: 57
• Rotatable Bonds: 91
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3179.45
LogP ≤ 5	-4.22
H-Bond Donors ≤ 5	30
H-Bond Acceptors ≤ 10	57

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid?

The IUPAC name of (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid (CID 170982659) is (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid.

What is the SMILES notation for (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid?

The canonical SMILES for (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid is CC(C)C[C@@H]1NC(=O)[C@H](Cc2cnc[nH]2)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)CCOCCOCCOCCOCCNC(=O)CCCc2cn(CCCCCC(=O)NC(COCCC(=O)NCCOCCOCCOCCOC[C@@]34CO[C@@H](O3)[C@H](Nc3nc(Cl)ns3)[C@@H](O)[C@H]4O)COCCC(=O)NCCOCCOCCOCCOC[C@@]34CO[C@@H](O3)[C@H](Nc3nc(Cl)ns3)[C@@H](O)[C@H]4O)nn2)CSSC[C@@H](C(=O)N[C@H](C(N)=O)[C@@H](C)O)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](C(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC1=O.

What is the InChIKey of (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid?

The InChIKey is ZDBCGMDLGGRORB-GPBUSPEKSA-N. The full InChI is InChI=1S/C135H203Cl2N31O45S4/c1-77(2)57-92-118(186)145-66-105(175)149-91(24-25-106(176)177)119(187)153-93(58-78(3)4)124(192)158-108(79(5)6)127(195)155-95(60-83-64-144-90-21-14-12-19-88(83)90)121(189)157-99(126(194)159-109(81(8)169)116(138)184)71-215-214-70-98(125(193)147-80(7)117(185)151-94(59-82-63-143-89-20-13-11-18-87(82)89)120(188)154-96(122(190)152-92)61-85-65-139-76-146-85)156-123(191)97(62-107(178)179)150-104(174)28-33-196-39-43-200-47-48-201-44-40-197-36-29-140-100(170)23-16-17-84-67-168(167-164-84)32-15-9-10-22-103(173)148-86(68-206-34-26-101(171)141-30-37-198-41-45-202-49-51-204-53-55-208-72-134-74-210-128(212-134)110(112(180)114(134)182)160-132-162-130(136)165-216-132)69-207-35-27-102(172)142-31-38-199-42-46-203-50-52-205-54-56-209-73-135-75-211-129(213-135)111(113(181)115(135)183)161-133-163-131(137)166-217-133/h11-14,18-21,63-65,67,76-81,86,91-99,108-115,128-129,143-144,169,180-183H,9-10,15-17,22-62,66,68-75H2,1-8H3,(H2,138,184)(H,139,146)(H,140,170)(H,141,171)(H,142,172)(H,145,186)(H,147,193)(H,148,173)(H,149,175)(H,150,174)(H,151,185)(H,152,190)(H,153,187)(H,154,188)(H,155,195)(H,156,191)(H,157,189)(H,158,192)(H,159,194)(H,176,177)(H,178,179)(H,160,162,165)(H,161,163,166)/t80-,81+,91-,92-,93+,94+,95-,96-,97-,98-,99-,108-,109-,110+,111+,112+,113+,114+,115+,128-,129-,134-,135-/m0/s1.

What are the key properties of (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid?

(3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid has a molecular weight of 3179.45 g/mol, XLogP of -4.22, 91 rotatable bonds, 30 hydrogen bond donors, and 57 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[[(4R,7S,10S,13R,16S,22S,25S,28R,31S,34R)-4-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]carbamoyl]-16-(2-carboxyethyl)-25-(1H-imidazol-5-ylmethyl)-7,28-bis(1H-indol-3-ylmethyl)-31-methyl-13,22-bis(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33-decaoxo-10-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23,26,29,32-decazacyclopentatriacont-34-yl]amino]-3-[3-[2-[2-[2-[2-[4-[1-[6-[1,3-bis[3-[2-[2-[2-[2-[[(1S,2R,3R,4R,5S)-4-[(3-chloro-1,2,4-thiadiazol-5-yl)amino]-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-1-yl]methoxy]ethoxy]ethoxy]ethoxy]ethylamino]-3-oxopropoxy]propan-2-ylamino]-6-oxohexyl]triazol-4-yl]butanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 170982659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).