2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid

C255H356N20O51S3 — CID 159462805

About 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid (PubChem CID 159462805) has the molecular formula C255H356N20O51S3 and a molecular weight of 4613.94 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid.

Molecular Properties

• Compound Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid
• PubChem CID: 159462805
• Molecular Formula: C255H356N20O51S3
• Molecular Weight: 4613.94 g/mol
• Exact Mass: 4610.50
• IUPAC Name: 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid
• SMILES: [H]/N=C(/NCCC[C@H](CC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCCCCCCCCC)(CCCCCCCCCCC(=O)O)C(=O)O)C(=O)N1CCC[C@H]1C(=O)C[C@@H](CCCN/C(=N\[H])Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCC)C(=O)C[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2
• InChI: InChI=1S/C255H356N20O51S3/c1-18-20-22-23-24-26-29-32-75-118-251(244(295)296,119-76-33-30-27-25-28-31-73-114-230(283)284)243(294)259-123-127-301-129-131-303-133-135-305-137-139-307-141-143-309-145-147-311-149-151-313-153-155-315-157-159-317-161-163-319-165-167-321-169-171-323-173-172-322-170-168-320-166-164-318-162-160-316-158-156-314-154-152-312-150-148-310-146-144-308-142-140-306-138-136-304-134-132-302-130-128-300-126-117-227(280)264-216(115-116-228(281)271-252(200-86-49-35-50-87-200,201-88-51-36-52-89-201)202-90-53-37-54-91-202)223(276)177-197(85-79-122-261-246(257)272-329(298,299)234-192(8)191(7)233-214(194(234)10)182-250(16,17)325-233)241(291)274-125-80-112-221(274)226(279)176-196(84-78-121-260-245(256)270-231-189(5)190(6)232-213(193(231)9)181-249(14,15)324-232)235(285)267-218(174-188(3)4)225(278)179-199(186-328-255(209-104-67-44-68-105-209,210-106-69-45-70-107-210)211-108-71-46-72-109-211)236(286)268-219(180-212-183-258-187-275(212)253(203-92-55-38-56-93-203,204-94-57-39-58-95-204)205-96-59-40-60-97-205)239(289)266-217(111-74-77-120-262-247(297)326-248(11,12)13)238(288)263-184-229(282)273-124-81-113-222(273)240(290)265-215(110-21-19-2)224(277)178-198(237(287)269-220(242(292)293)175-195-82-47-34-48-83-195)185-327-254(206-98-61-41-62-99-206,207-100-63-42-64-101-207)208-102-65-43-66-103-208/h34-72,82-83,86-109,183,187-188,196-199,215-222H,18-33,73-81,84-85,110-182,184-186H2,1-17H3,(H,259,294)(H,262,297)(H,263,288)(H,264,280)(H,265,290)(H,266,289)(H,267,285)(H,268,286)(H,269,287)(H,271,281)(H,283,284)(H,292,293)(H,295,296)(H3,256,260,270)(H3,257,261,272)/t196-,197-,198+,199+,215-,216+,217-,218+,219-,220+,221+,222-,251?/m1/s1
• InChIKey: LUUMZJUWZAMQSK-FRGYLYCXSA-N
• XLogP: 33.03
• TPSA: 908.79 Ų
• H-Bond Donors: 19
• H-Bond Acceptors: 54
• Rotatable Bonds: 174
• Heavy Atoms: 329
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	4613.94
LogP ≤ 5	33.03
H-Bond Donors ≤ 5	19
H-Bond Acceptors ≤ 10	54

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid?

The IUPAC name of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid (CID 159462805) is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid.

What is the SMILES notation for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid?

The canonical SMILES for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid is [H]/N=C(/NCCC[C@H](CC(=O)[C@H](CCC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCNC(=O)C(CCCCCCCCCCC)(CCCCCCCCCCC(=O)O)C(=O)O)C(=O)N1CCC[C@H]1C(=O)C[C@@H](CCCN/C(=N\[H])Nc1c(C)c(C)c2c(c1C)CC(C)(C)O2)C(=O)N[C@@H](CC(C)C)C(=O)C[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H](Cc1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCC[C@@H]1C(=O)N[C@H](CCCC)C(=O)C[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)NS(=O)(=O)c1c(C)c(C)c2c(c1C)CC(C)(C)O2.

What is the InChIKey of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid?

The InChIKey is LUUMZJUWZAMQSK-FRGYLYCXSA-N. The full InChI is InChI=1S/C255H356N20O51S3/c1-18-20-22-23-24-26-29-32-75-118-251(244(295)296,119-76-33-30-27-25-28-31-73-114-230(283)284)243(294)259-123-127-301-129-131-303-133-135-305-137-139-307-141-143-309-145-147-311-149-151-313-153-155-315-157-159-317-161-163-319-165-167-321-169-171-323-173-172-322-170-168-320-166-164-318-162-160-316-158-156-314-154-152-312-150-148-310-146-144-308-142-140-306-138-136-304-134-132-302-130-128-300-126-117-227(280)264-216(115-116-228(281)271-252(200-86-49-35-50-87-200,201-88-51-36-52-89-201)202-90-53-37-54-91-202)223(276)177-197(85-79-122-261-246(257)272-329(298,299)234-192(8)191(7)233-214(194(234)10)182-250(16,17)325-233)241(291)274-125-80-112-221(274)226(279)176-196(84-78-121-260-245(256)270-231-189(5)190(6)232-213(193(231)9)181-249(14,15)324-232)235(285)267-218(174-188(3)4)225(278)179-199(186-328-255(209-104-67-44-68-105-209,210-106-69-45-70-107-210)211-108-71-46-72-109-211)236(286)268-219(180-212-183-258-187-275(212)253(203-92-55-38-56-93-203,204-94-57-39-58-95-204)205-96-59-40-60-97-205)239(289)266-217(111-74-77-120-262-247(297)326-248(11,12)13)238(288)263-184-229(282)273-124-81-113-222(273)240(290)265-215(110-21-19-2)224(277)178-198(237(287)269-220(242(292)293)175-195-82-47-34-48-83-195)185-327-254(206-98-61-41-62-99-206,207-100-63-42-64-101-207)208-102-65-43-66-103-208/h34-72,82-83,86-109,183,187-188,196-199,215-222H,18-33,73-81,84-85,110-182,184-186H2,1-17H3,(H,259,294)(H,262,297)(H,263,288)(H,264,280)(H,265,290)(H,266,289)(H,267,285)(H,268,286)(H,269,287)(H,271,281)(H,283,284)(H,292,293)(H,295,296)(H3,256,260,270)(H3,257,261,272)/t196-,197-,198+,199+,215-,216+,217-,218+,219-,220+,221+,222-,251?/m1/s1.

What are the key properties of 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid?

2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid has a molecular weight of 4613.94 g/mol, XLogP of 33.03, 174 rotatable bonds, 19 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[(4S,7R)-7-[(2S)-2-[(3R)-3-[[(4S,7R)-8-[[(2R)-1-[[(2R)-1-[[2-[(2R)-2-[[(2R,5R)-1-[[(1S)-1-carboxy-2-phenylethyl]amino]-1,4-dioxo-2-(tritylsulfanylmethyl)nonan-5-yl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]amino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]-1-oxohexan-2-yl]amino]-1-oxo-3-(3-tritylimidazol-4-yl)propan-2-yl]amino]-2-methyl-5,8-dioxo-7-(tritylsulfanylmethyl)octan-4-yl]carbamoyl]-6-[[N-(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)carbamimidoyl]amino]hexanoyl]pyrrolidine-1-carbonyl]-1,5-dioxo-10-[[N-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonyl]carbamimidoyl]amino]-1-(tritylamino)decan-4-yl]amino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethylcarbamoyl]-2-undecyltridecanedioic acid is sourced from PubChem (CID 159462805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).