3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid

C128H178N28O38S3 — CID 148608909

About 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid

3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid (PubChem CID 148608909) has the molecular formula C128H178N28O38S3 and a molecular weight of 2813.19 g/mol. Its IUPAC name is 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid.

Molecular Properties

• Compound Name: 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid
• PubChem CID: 148608909
• Molecular Formula: C128H178N28O38S3
• Molecular Weight: 2813.19 g/mol
• Exact Mass: 2811.20
• IUPAC Name: 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid
• SMILES: CC(=O)C[C@@H](CCCCN)C(=O)NCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)CC(C)C(=O)N[C@H]1CSCc2cc3cc(c2)CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc2cccc4ccccc24)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C(C)(C)C)C(=O)N[C@@H](C(N)=O)CSC3
• InChI: InChI=1S/C128H178N28O38S3/c1-70(42-83(159)54-147(8)98(162)56-149(10)100(164)58-151(12)102(166)60-153(14)104(168)62-155(16)106(170)63-156(17)105(169)61-154(15)103(167)59-152(13)101(165)57-150(11)99(163)55-148(9)97(161)53-132-116(183)81(43-71(2)157)29-23-24-41-129)113(180)144-94-68-196-65-77-44-76-45-78(46-77)66-197-69-95(145-115(182)73(4)133-119(186)89(49-80-31-25-30-79-28-21-22-32-84(79)80)140-117(184)85(37-39-107(171)172)135-122(189)90(50-96(130)160)137-114(181)72(3)134-125(94)192)126(193)136-86(38-40-108(173)174)118(185)141-91(51-109(175)176)123(190)139-87(47-74-26-19-18-20-27-74)120(187)138-88(48-75-33-35-82(158)36-34-75)121(188)142-92(52-110(177)178)124(191)146-111(128(5,6)7)127(194)143-93(112(131)179)67-195-64-76/h18-22,25-28,30-36,44-46,70,72-73,81,85-95,111,158H,23-24,29,37-43,47-69,129H2,1-17H3,(H2,130,160)(H2,131,179)(H,132,183)(H,133,186)(H,134,192)(H,135,189)(H,136,193)(H,137,181)(H,138,187)(H,139,190)(H,140,184)(H,141,185)(H,142,188)(H,143,194)(H,144,180)(H,145,182)(H,146,191)(H,171,172)(H,173,174)(H,175,176)(H,177,178)/t70?,72-,73-,81+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94-,95+,111-/m0/s1
• InChIKey: NDYZNYLWGPSOGD-HDBQPCEESA-N
• XLogP: -7.07
• TPSA: 955.37 Ų
• H-Bond Donors: 23
• H-Bond Acceptors: 38
• Rotatable Bonds: 52
• Heavy Atoms: 197
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2813.19
LogP ≤ 5	-7.07
H-Bond Donors ≤ 5	23
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid?

The IUPAC name of 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid (CID 148608909) is 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid.

What is the SMILES notation for 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid?

The canonical SMILES for 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid is CC(=O)C[C@@H](CCCCN)C(=O)NCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)CC(C)C(=O)N[C@H]1CSCc2cc3cc(c2)CSC[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H](Cc2cccc4ccccc24)NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](C)NC1=O)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CC(=O)O)C(=O)N[C@H](C(C)(C)C)C(=O)N[C@@H](C(N)=O)CSC3.

What is the InChIKey of 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid?

The InChIKey is NDYZNYLWGPSOGD-HDBQPCEESA-N. The full InChI is InChI=1S/C128H178N28O38S3/c1-70(42-83(159)54-147(8)98(162)56-149(10)100(164)58-151(12)102(166)60-153(14)104(168)62-155(16)106(170)63-156(17)105(169)61-154(15)103(167)59-152(13)101(165)57-150(11)99(163)55-148(9)97(161)53-132-116(183)81(43-71(2)157)29-23-24-41-129)113(180)144-94-68-196-65-77-44-76-45-78(46-77)66-197-69-95(145-115(182)73(4)133-119(186)89(49-80-31-25-30-79-28-21-22-32-84(79)80)140-117(184)85(37-39-107(171)172)135-122(189)90(50-96(130)160)137-114(181)72(3)134-125(94)192)126(193)136-86(38-40-108(173)174)118(185)141-91(51-109(175)176)123(190)139-87(47-74-26-19-18-20-27-74)120(187)138-88(48-75-33-35-82(158)36-34-75)121(188)142-92(52-110(177)178)124(191)146-111(128(5,6)7)127(194)143-93(112(131)179)67-195-64-76/h18-22,25-28,30-36,44-46,70,72-73,81,85-95,111,158H,23-24,29,37-43,47-69,129H2,1-17H3,(H2,130,160)(H2,131,179)(H,132,183)(H,133,186)(H,134,192)(H,135,189)(H,136,193)(H,137,181)(H,138,187)(H,139,190)(H,140,184)(H,141,185)(H,142,188)(H,143,194)(H,144,180)(H,145,182)(H,146,191)(H,171,172)(H,173,174)(H,175,176)(H,177,178)/t70?,72-,73-,81+,85+,86+,87+,88+,89+,90+,91+,92+,93+,94-,95+,111-/m0/s1.

What are the key properties of 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid?

3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid has a molecular weight of 2813.19 g/mol, XLogP of -7.07, 52 rotatable bonds, 23 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(7S,10R,13R,16R,19R,22R,25R,28S,31S,34R,37R,40R,43S,46R)-40-(2-amino-2-oxoethyl)-46-[[5-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[(2R)-6-amino-2-(2-oxopropyl)hexanoyl]amino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]-2-methyl-4-oxopentanoyl]amino]-19-benzyl-10-tert-butyl-7-carbamoyl-37-(2-carboxyethyl)-13,22-bis(carboxymethyl)-16-[(4-hydroxyphenyl)methyl]-31,43-dimethyl-34-(naphthalen-1-ylmethyl)-9,12,15,18,21,24,27,30,33,36,39,42,45-tridecaoxo-5,48,53-trithia-8,11,14,17,20,23,26,29,32,35,38,41,44-tridecazatricyclo[26.23.3.13,50]pentapentaconta-1(51),2,50(55)-trien-25-yl]propanoic acid is sourced from PubChem (CID 148608909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).