3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid

C129H220N38O30S2 — CID 158206241

About 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid

3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid (PubChem CID 158206241) has the molecular formula C129H220N38O30S2 and a molecular weight of 2847.55 g/mol. Its IUPAC name is 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid
• PubChem CID: 158206241
• Molecular Formula: C129H220N38O30S2
• Molecular Weight: 2847.55 g/mol
• Exact Mass: 2845.63
• IUPAC Name: 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid
• SMILES: [H]/N=C(\N)NCCC[C@H](CC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCC(N)=O)CC(O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)CC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCc2cc3ccccc3cc2CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)C[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)C1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(N)O
• InChI: InChI=1S/C129H220N38O30S2/c1-69(2)51-84(132)116(190)163-94(54-72(7)8)120(194)165-95-68-199-66-82-56-75-24-11-10-23-74(75)55-81(82)65-198-67-83(62-101(173)89(35-38-106(178)179)156-105(177)64-154-122(196)109(73(9)168)166-118(192)91(36-39-107(180)181)161-121(195)96-33-22-50-167(96)123(197)80(61-102(95)174)63-108(182)183)115(189)162-93(53-71(5)6)119(193)164-92(52-70(3)4)117(191)147-49-40-104(176)155-85(29-18-45-150-126(139)140)97(169)57-76(25-12-14-41-130)111(185)157-86(28-13-15-42-131)98(170)58-77(26-16-43-148-124(135)136)112(186)158-88(31-20-47-152-128(143)144)100(172)60-79(34-37-103(133)175)114(188)159-87(30-19-46-151-127(141)142)99(171)59-78(27-17-44-149-125(137)138)113(187)160-90(110(134)184)32-21-48-153-129(145)146/h10-11,23-24,55-56,69-73,76-80,83-96,100,109-110,168,172,184H,12-22,25-54,57-68,130-132,134H2,1-9H3,(H2,133,175)(H,147,191)(H,154,196)(H,155,176)(H,156,177)(H,157,185)(H,158,186)(H,159,188)(H,160,187)(H,161,195)(H,162,189)(H,163,190)(H,164,193)(H,165,194)(H,166,192)(H,178,179)(H,180,181)(H,182,183)(H4,135,136,148)(H4,137,138,149)(H4,139,140,150)(H4,141,142,151)(H4,143,144,152)(H4,145,146,153)/t73-,76-,77-,78-,79-,80+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,100?,109+,110?/m1/s1
• InChIKey: GBNJJKYHEDTQLD-HNIWARBMSA-N
• XLogP: -4.53
• TPSA: 1204.22 Ų
• H-Bond Donors: 43
• H-Bond Acceptors: 39
• Rotatable Bonds: 86
• Heavy Atoms: 199
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2847.55
LogP ≤ 5	-4.53
H-Bond Donors ≤ 5	43
H-Bond Acceptors ≤ 10	39

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid?

The IUPAC name of 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid (CID 158206241) is 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid.

What is the SMILES notation for 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid?

The canonical SMILES for 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid is [H]/N=C(\N)NCCC[C@H](CC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCC(N)=O)CC(O)[C@H](CCCN/C(N)=N/[H])NC(=O)[C@H](CCCN/C(N)=N/[H])CC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)CC(=O)[C@H](CCCN/C(N)=N/[H])NC(=O)CCNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CSCc2cc3ccccc3cc2CSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CC(C)C)C(=O)C[C@@H](CC(=O)O)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)C1)C(=O)N[C@@H](CCCN/C(N)=N/[H])C(N)O.

What is the InChIKey of 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid?

The InChIKey is GBNJJKYHEDTQLD-HNIWARBMSA-N. The full InChI is InChI=1S/C129H220N38O30S2/c1-69(2)51-84(132)116(190)163-94(54-72(7)8)120(194)165-95-68-199-66-82-56-75-24-11-10-23-74(75)55-81(82)65-198-67-83(62-101(173)89(35-38-106(178)179)156-105(177)64-154-122(196)109(73(9)168)166-118(192)91(36-39-107(180)181)161-121(195)96-33-22-50-167(96)123(197)80(61-102(95)174)63-108(182)183)115(189)162-93(53-71(5)6)119(193)164-92(52-70(3)4)117(191)147-49-40-104(176)155-85(29-18-45-150-126(139)140)97(169)57-76(25-12-14-41-130)111(185)157-86(28-13-15-42-131)98(170)58-77(26-16-43-148-124(135)136)112(186)158-88(31-20-47-152-128(143)144)100(172)60-79(34-37-103(133)175)114(188)159-87(30-19-46-151-127(141)142)99(171)59-78(27-17-44-149-125(137)138)113(187)160-90(110(134)184)32-21-48-153-129(145)146/h10-11,23-24,55-56,69-73,76-80,83-96,100,109-110,168,172,184H,12-22,25-54,57-68,130-132,134H2,1-9H3,(H2,133,175)(H,147,191)(H,154,196)(H,155,176)(H,156,177)(H,157,185)(H,158,186)(H,159,188)(H,160,187)(H,161,195)(H,162,189)(H,163,190)(H,164,193)(H,165,194)(H,166,192)(H,178,179)(H,180,181)(H,182,183)(H4,135,136,148)(H4,137,138,149)(H4,139,140,150)(H4,141,142,151)(H4,143,144,152)(H4,145,146,153)/t73-,76-,77-,78-,79-,80+,83+,84+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94+,95+,96+,100?,109+,110?/m1/s1.

What are the key properties of 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid?

3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid has a molecular weight of 2847.55 g/mol, XLogP of -4.53, 86 rotatable bonds, 43 hydrogen bond donors, and 39 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5R,8S,14S,17S,20S,26S,29R)-29-[[(2S)-1-[[(2S)-1-[[3-[[(4S,7R)-11-amino-7-[[(5S,8R)-1-amino-8-[[(4S,7R)-10-amino-7-[[(4S,7R)-7-[[(2S)-1-amino-5-carbamimidamido-1-hydroxypentan-2-yl]carbamoyl]-1,10-dicarbamimidamido-5-oxodecan-4-yl]carbamoyl]-1-carbamimidamido-5-hydroxy-10-oxodecan-4-yl]carbamoyl]-11-carbamimidamido-6-oxoundecan-5-yl]carbamoyl]-1-carbamimidamido-5-oxoundecan-4-yl]amino]-3-oxopropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]-5-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-17-(2-carboxyethyl)-8-(carboxymethyl)-20-[(1R)-1-hydroxyethyl]-6,9,15,18,21,24,27-heptaoxo-3,31-dithia-10,16,19,22,25-pentazatetracyclo[31.8.0.010,14.035,40]hentetraconta-1(41),33,35,37,39-pentaen-26-yl]propanoic acid is sourced from PubChem (CID 158206241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).