(3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

C154H231N47O41 — CID 91928654

About (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid

(3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid (PubChem CID 91928654) has the molecular formula C154H231N47O41 and a molecular weight of 3396.83 g/mol. Its IUPAC name is (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid.

Molecular Properties

• Compound Name: (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
• PubChem CID: 91928654
• Molecular Formula: C154H231N47O41
• Molecular Weight: 3396.83 g/mol
• Exact Mass: 3394.74
• IUPAC Name: (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]1(C)NC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O
• InChI: InChI=1S/C154H231N47O41/c1-12-78(6)120(144(237)196-121(82(10)204)145(238)181-98(26-18-58-172-153(166)167)126(219)180-99(50-52-116(157)210)130(223)178-96(24-16-56-170-151(162)163)127(220)184-102(122(159)215)65-84-32-42-90(206)43-33-84)195-137(230)104(63-77(4)5)186-135(228)109(70-117(158)211)194-149(242)154(11)197-118(212)53-51-101(183-136(229)110(71-119(213)214)191-142(235)115-29-21-61-201(115)147(240)100(22-13-14-54-155)182-139(232)112(74-203)193-143(236)114-28-19-59-199(114)146(239)94(156)64-83-30-40-89(205)41-31-83)148(241)200-60-20-27-113(200)141(234)176-79(7)123(216)174-80(8)124(217)177-95(23-15-55-169-150(160)161)128(221)187-105(66-85-34-44-91(207)45-35-85)132(225)188-106(67-86-36-46-92(208)47-37-86)133(226)192-111(73-202)138(231)175-81(9)125(218)185-103(62-76(2)3)131(224)179-97(25-17-57-171-152(164)165)129(222)190-108(69-88-72-168-75-173-88)134(227)189-107(140(233)198-154)68-87-38-48-93(209)49-39-87/h30-49,72,75-82,94-115,120-121,202-209H,12-29,50-71,73-74,155-156H2,1-11H3,(H2,157,210)(H2,158,211)(H2,159,215)(H,168,173)(H,174,216)(H,175,231)(H,176,234)(H,177,217)(H,178,223)(H,179,224)(H,180,219)(H,181,238)(H,182,232)(H,183,229)(H,184,220)(H,185,218)(H,186,228)(H,187,221)(H,188,225)(H,189,227)(H,190,222)(H,191,235)(H,192,226)(H,193,236)(H,194,242)(H,195,230)(H,196,237)(H,197,212)(H,198,233)(H,213,214)(H4,160,161,169)(H4,162,163,170)(H4,164,165,171)(H4,166,167,172)/t78-,79-,80+,81-,82+,94-,95-,96-,97-,98-,99-,100-,101+,102-,103+,104-,105+,106-,107-,108+,109-,110-,111+,112-,113+,114-,115+,120-,121-,154-/m0/s1
• InChIKey: UTHXFGJCCVQERK-FFIDFHKDSA-N
• XLogP: -14.27
• TPSA: 1445.16 Ų
• H-Bond Donors: 52
• H-Bond Acceptors: 47
• Rotatable Bonds: 75
• Heavy Atoms: 242
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3396.83
LogP ≤ 5	-14.27
H-Bond Donors ≤ 5	52
H-Bond Acceptors ≤ 10	47

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?

The IUPAC name of (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid (CID 91928654) is (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid.

What is the SMILES notation for (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?

The canonical SMILES for (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid is [H]/N=C(\N)NCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@]1(C)NC(=O)CC[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)Cc2ccc(O)cc2)C(=O)N2CCC[C@@H]2C(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@H](Cc2cnc[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)[C@@H](C)CC)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O.

What is the InChIKey of (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?

The InChIKey is UTHXFGJCCVQERK-FFIDFHKDSA-N. The full InChI is InChI=1S/C154H231N47O41/c1-12-78(6)120(144(237)196-121(82(10)204)145(238)181-98(26-18-58-172-153(166)167)126(219)180-99(50-52-116(157)210)130(223)178-96(24-16-56-170-151(162)163)127(220)184-102(122(159)215)65-84-32-42-90(206)43-33-84)195-137(230)104(63-77(4)5)186-135(228)109(70-117(158)211)194-149(242)154(11)197-118(212)53-51-101(183-136(229)110(71-119(213)214)191-142(235)115-29-21-61-201(115)147(240)100(22-13-14-54-155)182-139(232)112(74-203)193-143(236)114-28-19-59-199(114)146(239)94(156)64-83-30-40-89(205)41-31-83)148(241)200-60-20-27-113(200)141(234)176-79(7)123(216)174-80(8)124(217)177-95(23-15-55-169-150(160)161)128(221)187-105(66-85-34-44-91(207)45-35-85)132(225)188-106(67-86-36-46-92(208)47-37-86)133(226)192-111(73-202)138(231)175-81(9)125(218)185-103(62-76(2)3)131(224)179-97(25-17-57-171-152(164)165)129(222)190-108(69-88-72-168-75-173-88)134(227)189-107(140(233)198-154)68-87-38-48-93(209)49-39-87/h30-49,72,75-82,94-115,120-121,202-209H,12-29,50-71,73-74,155-156H2,1-11H3,(H2,157,210)(H2,158,211)(H2,159,215)(H,168,173)(H,174,216)(H,175,231)(H,176,234)(H,177,217)(H,178,223)(H,179,224)(H,180,219)(H,181,238)(H,182,232)(H,183,229)(H,184,220)(H,185,218)(H,186,228)(H,187,221)(H,188,225)(H,189,227)(H,190,222)(H,191,235)(H,192,226)(H,193,236)(H,194,242)(H,195,230)(H,196,237)(H,197,212)(H,198,233)(H,213,214)(H4,160,161,169)(H4,162,163,170)(H4,164,165,171)(H4,166,167,172)/t78-,79-,80+,81-,82+,94-,95-,96-,97-,98-,99-,100-,101+,102-,103+,104-,105+,106-,107-,108+,109-,110-,111+,112-,113+,114-,115+,120-,121-,154-/m0/s1.

What are the key properties of (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid?

(3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid has a molecular weight of 3396.83 g/mol, XLogP of -14.27, 75 rotatable bonds, 52 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for (3S)-4-[[(3R,8S,11S,14R,17S,20R,23S,26R,29S,32R,35S,38R,41S,44R)-8-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-17,35-bis(3-carbamimidamidopropyl)-26-(hydroxymethyl)-11,29,32-tris[(4-hydroxyphenyl)methyl]-14-(1H-imidazol-5-ylmethyl)-8,23,38,41-tetramethyl-20-(2-methylpropyl)-2,6,10,13,16,19,22,25,28,31,34,37,40,43-tetradecaoxo-1,7,9,12,15,18,21,24,27,30,33,36,39,42-tetradecazabicyclo[42.3.0]heptatetracontan-3-yl]amino]-3-[[(2R)-1-[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 91928654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).