18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid

C140H228N34O40S2 — CID 162673998

About 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid

18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid (PubChem CID 162673998) has the molecular formula C140H228N34O40S2 and a molecular weight of 3091.70 g/mol. Its IUPAC name is 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid.

Molecular Properties

• Compound Name: 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid
• PubChem CID: 162673998
• Molecular Formula: C140H228N34O40S2
• Molecular Weight: 3091.70 g/mol
• Exact Mass: 3089.63
• IUPAC Name: 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC1=O
• InChI: InChI=1S/C140H228N34O40S2/c1-10-83(5)117-133(204)167-100(136(207)173-61-35-45-103(173)130(201)169-116(82(3)4)131(202)155-75-109(183)159-93(42-33-57-153-140(146)147)124(195)162-95(120(143)191)71-88-37-25-24-26-38-88)79-216-81-112(186)160-91(122(193)151-59-66-214-70-68-212-64-53-106(180)150-58-65-213-69-67-211-63-52-105(179)148-54-30-29-39-94(138(209)210)161-107(181)46-27-22-20-18-16-14-12-13-15-17-19-21-23-28-47-113(187)188)40-31-55-149-111(185)80-215-78-99(127(198)163-96(72-89-48-50-90(177)51-49-89)125(196)171-119(87(9)176)132(203)156-76-108(182)158-92(41-32-56-152-139(144)145)123(194)154-77-110(184)168-117)166-121(192)85(7)157-128(199)101-43-34-60-172(101)135(206)98(73-104(141)178)165-134(205)118(84(6)11-2)170-126(197)97(74-114(189)190)164-129(200)102-44-36-62-174(102)137(208)115(142)86(8)175/h24-26,37-38,48-51,82-87,91-103,115-119,175-177H,10-23,27-36,39-47,52-81,142H2,1-9H3,(H2,141,178)(H2,143,191)(H,148,179)(H,149,185)(H,150,180)(H,151,193)(H,154,194)(H,155,202)(H,156,203)(H,157,199)(H,158,182)(H,159,183)(H,160,186)(H,161,181)(H,162,195)(H,163,198)(H,164,200)(H,165,205)(H,166,192)(H,167,204)(H,168,184)(H,169,201)(H,170,197)(H,171,196)(H,187,188)(H,189,190)(H,209,210)(H4,144,145,152)(H4,146,147,153)/t83-,84-,85-,86+,87+,91+,92-,93-,94?,95-,96-,97-,98-,99-,100-,101-,102-,103-,115-,116-,117-,118-,119-/m0/s1
• InChIKey: VVKQQLGHZHPNEI-PVCZVSTLSA-N
• XLogP: -6.86
• TPSA: 1146.64 Ų
• H-Bond Donors: 37
• H-Bond Acceptors: 42
• Rotatable Bonds: 88
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3091.70
LogP ≤ 5	-6.86
H-Bond Donors ≤ 5	37
H-Bond Acceptors ≤ 10	42

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid?

The IUPAC name of 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid (CID 162673998) is 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid.

What is the SMILES notation for 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid?

The canonical SMILES for 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid is [H]/N=C(\N)NCCC[C@@H]1NC(=O)CNC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](N)[C@@H](C)O)[C@@H](C)CC)CSCC(=O)NCCC[C@H](C(=O)NCCOCCOCCC(=O)NCCOCCOCCC(=O)NCCCCC(NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CCCN/C(N)=N/[H])C(=O)N[C@@H](Cc2ccccc2)C(N)=O)C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)CNC1=O.

What is the InChIKey of 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid?

The InChIKey is VVKQQLGHZHPNEI-PVCZVSTLSA-N. The full InChI is InChI=1S/C140H228N34O40S2/c1-10-83(5)117-133(204)167-100(136(207)173-61-35-45-103(173)130(201)169-116(82(3)4)131(202)155-75-109(183)159-93(42-33-57-153-140(146)147)124(195)162-95(120(143)191)71-88-37-25-24-26-38-88)79-216-81-112(186)160-91(122(193)151-59-66-214-70-68-212-64-53-106(180)150-58-65-213-69-67-211-63-52-105(179)148-54-30-29-39-94(138(209)210)161-107(181)46-27-22-20-18-16-14-12-13-15-17-19-21-23-28-47-113(187)188)40-31-55-149-111(185)80-215-78-99(127(198)163-96(72-89-48-50-90(177)51-49-89)125(196)171-119(87(9)176)132(203)156-76-108(182)158-92(41-32-56-152-139(144)145)123(194)154-77-110(184)168-117)166-121(192)85(7)157-128(199)101-43-34-60-172(101)135(206)98(73-104(141)178)165-134(205)118(84(6)11-2)170-126(197)97(74-114(189)190)164-129(200)102-44-36-62-174(102)137(208)115(142)86(8)175/h24-26,37-38,48-51,82-87,91-103,115-119,175-177H,10-23,27-36,39-47,52-81,142H2,1-9H3,(H2,141,178)(H2,143,191)(H,148,179)(H,149,185)(H,150,180)(H,151,193)(H,154,194)(H,155,202)(H,156,203)(H,157,199)(H,158,182)(H,159,183)(H,160,186)(H,161,181)(H,162,195)(H,163,198)(H,164,200)(H,165,205)(H,166,192)(H,167,204)(H,168,184)(H,169,201)(H,170,197)(H,171,196)(H,187,188)(H,189,190)(H,209,210)(H4,144,145,152)(H4,146,147,153)/t83-,84-,85-,86+,87+,91+,92-,93-,94?,95-,96-,97-,98-,99-,100-,101-,102-,103-,115-,116-,117-,118-,119-/m0/s1.

What are the key properties of 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid?

18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid has a molecular weight of 3091.70 g/mol, XLogP of -6.86, 88 rotatable bonds, 37 hydrogen bond donors, and 42 hydrogen bond acceptors.

Where does this data come from?

All data for 18-[[5-[3-[2-[2-[3-[2-[2-[[(3R,6S,12S,18S,21S,24R,33R)-24-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S,3R)-2-amino-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-[(2S)-2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidine-1-carbonyl]-6-[(2S)-butan-2-yl]-12-(3-carbamimidamidopropyl)-18-[(1R)-1-hydroxyethyl]-21-[(4-hydroxyphenyl)methyl]-5,8,11,14,17,20,23,28,35-nonaoxo-1,26-dithia-4,7,10,13,16,19,22,29,34-nonazacyclohexatriacontane-33-carbonyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-carboxypentyl]amino]-18-oxooctadecanoic acid is sourced from PubChem (CID 162673998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).