N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide

C153H214N40O33S4 — CID 45104093

About N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide

N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide (PubChem CID 45104093) has the molecular formula C153H214N40O33S4 and a molecular weight of 3269.91 g/mol. Its IUPAC name is N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide.

Molecular Properties

• Compound Name: N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide
• PubChem CID: 45104093
• Molecular Formula: C153H214N40O33S4
• Molecular Weight: 3269.91 g/mol
• Exact Mass: 3267.52
• IUPAC Name: N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)CCC(=O)NCCN(C)CC(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCCN(CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(N)=O)CSSC1(C)C)C2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCCN(CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(N)=O)CSSC1(C)C)C2=O
• InChI: InChI=1S/C153H214N40O33S4/c1-85(2)64-115-140(217)179-109(70-93-46-50-97(196)51-47-93)148(225)192-61-30-44-113(192)138(215)181-111(128(154)205)81-227-229-152(7,8)126(144(221)183-124(87(5)194)142(219)165-76-119(200)171-107(72-95-74-160-83-167-95)134(211)177-103(66-89-32-18-14-19-33-89)132(209)173-101-42-28-59-190(146(101)223)79-122(203)188(115)12)185-136(213)105(68-91-36-22-16-23-37-91)175-130(207)99(40-26-56-163-150(156)157)169-118(199)55-54-117(198)162-58-63-187(11)78-121(202)170-100(41-27-57-164-151(158)159)131(208)176-106(69-92-38-24-17-25-39-92)137(214)186-127-145(222)184-125(88(6)195)143(220)166-77-120(201)172-108(73-96-75-161-84-168-96)135(212)178-104(67-90-34-20-15-21-35-90)133(210)174-102-43-29-60-191(147(102)224)80-123(204)189(13)116(65-86(3)4)141(218)180-110(71-94-48-52-98(197)53-49-94)149(226)193-62-31-45-114(193)139(216)182-112(129(155)206)82-228-230-153(127,9)10/h14-25,32-39,46-53,74-75,83-88,99-116,124-127,194-197H,26-31,40-45,54-73,76-82H2,1-13H3,(H2,154,205)(H2,155,206)(H,160,167)(H,161,168)(H,162,198)(H,165,219)(H,166,220)(H,169,199)(H,170,202)(H,171,200)(H,172,201)(H,173,209)(H,174,210)(H,175,207)(H,176,208)(H,177,211)(H,178,212)(H,179,217)(H,180,218)(H,181,215)(H,182,216)(H,183,221)(H,184,222)(H,185,213)(H,186,214)(H4,156,157,163)(H4,158,159,164)/t87-,88-,99+,100+,101-,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,124+,125+,126-,127-/m1/s1
• InChIKey: XMOADCKRHGDPSV-AJMHNOJZSA-N
• XLogP: -5.85
• TPSA: 1084.46 Ų
• H-Bond Donors: 35
• H-Bond Acceptors: 42
• Rotatable Bonds: 50
• Heavy Atoms: 230
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3269.91
LogP ≤ 5	-5.85
H-Bond Donors ≤ 5	35
H-Bond Acceptors ≤ 10	42

Frequently Asked Questions

What is the IUPAC name of N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide?

The IUPAC name of N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide (CID 45104093) is N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide.

What is the SMILES notation for N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide?

The canonical SMILES for N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide is [H]/N=C(\N)NCCC[C@H](NC(=O)CCC(=O)NCCN(C)CC(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCCN(CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(N)=O)CSSC1(C)C)C2=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]2CCCN(CC(=O)N(C)[C@@H](CC(C)C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)N3CCC[C@H]3C(=O)N[C@H](C(N)=O)CSSC1(C)C)C2=O.

What is the InChIKey of N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide?

The InChIKey is XMOADCKRHGDPSV-AJMHNOJZSA-N. The full InChI is InChI=1S/C153H214N40O33S4/c1-85(2)64-115-140(217)179-109(70-93-46-50-97(196)51-47-93)148(225)192-61-30-44-113(192)138(215)181-111(128(154)205)81-227-229-152(7,8)126(144(221)183-124(87(5)194)142(219)165-76-119(200)171-107(72-95-74-160-83-167-95)134(211)177-103(66-89-32-18-14-19-33-89)132(209)173-101-42-28-59-190(146(101)223)79-122(203)188(115)12)185-136(213)105(68-91-36-22-16-23-37-91)175-130(207)99(40-26-56-163-150(156)157)169-118(199)55-54-117(198)162-58-63-187(11)78-121(202)170-100(41-27-57-164-151(158)159)131(208)176-106(69-92-38-24-17-25-39-92)137(214)186-127-145(222)184-125(88(6)195)143(220)166-77-120(201)172-108(73-96-75-161-84-168-96)135(212)178-104(67-90-34-20-15-21-35-90)133(210)174-102-43-29-60-191(147(102)224)80-123(204)189(13)116(65-86(3)4)141(218)180-110(71-94-48-52-98(197)53-49-94)149(226)193-62-31-45-114(193)139(216)182-112(129(155)206)82-228-230-153(127,9)10/h14-25,32-39,46-53,74-75,83-88,99-116,124-127,194-197H,26-31,40-45,54-73,76-82H2,1-13H3,(H2,154,205)(H2,155,206)(H,160,167)(H,161,168)(H,162,198)(H,165,219)(H,166,220)(H,169,199)(H,170,202)(H,171,200)(H,172,201)(H,173,209)(H,174,210)(H,175,207)(H,176,208)(H,177,211)(H,178,212)(H,179,217)(H,180,218)(H,181,215)(H,182,216)(H,183,221)(H,184,222)(H,185,213)(H,186,214)(H4,156,157,163)(H4,158,159,164)/t87-,88-,99+,100+,101-,102-,103+,104+,105+,106+,107+,108+,109+,110+,111+,112+,113+,114+,115+,116+,124+,125+,126-,127-/m1/s1.

What are the key properties of N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide?

N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide has a molecular weight of 3269.91 g/mol, XLogP of -5.85, 50 rotatable bonds, 35 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]-N-[2-[[2-[[(2S)-1-[[(2S)-1-[[(5S,8S,14S,17R,22R,25S,31S,34S,37R)-34-benzyl-17-carbamoyl-25-[(1R)-1-hydroxyethyl]-8-[(4-hydroxyphenyl)methyl]-31-(1H-imidazol-4-ylmethyl)-4,21,21-trimethyl-5-(2-methylpropyl)-3,6,9,15,23,26,29,32,35,41-decaoxo-19,20-dithia-1,4,7,10,16,24,27,30,33,36-decazatricyclo[35.3.1.010,14]hentetracontan-22-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]-methylamino]ethyl]butanediamide is sourced from PubChem (CID 45104093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).