12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide

C160H257N29O20S8 — CID 165032107

About 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide

12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide (PubChem CID 165032107) has the molecular formula C160H257N29O20S8 and a molecular weight of 3163.54 g/mol. Its IUPAC name is 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide.

Molecular Properties

• Compound Name: 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide
• PubChem CID: 165032107
• Molecular Formula: C160H257N29O20S8
• Molecular Weight: 3163.54 g/mol
• Exact Mass: 3160.78
• IUPAC Name: 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide
• SMILES: NC(=O)c1cc(NC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3CC(N)=N[C@@H]32)cc(NC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)c1.NC1=N[C@H]2[C@H](CS[C@H]2CCCCC(=O)CCCCCCC(=O)NCCOCCNC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C1.NC1=N[C@H]2[C@H](CS[C@H]2CCCCC(=O)CCCCCCC(=O)Nc2cc(NC(=O)CCCCCCC(=O)CCCC[C@@H]3SC[C@@H]4NC(N)=N[C@@H]43)cc(C(=O)O)c2)C1.NC1=N[C@H]2[C@H](CS[C@H]2CCCCC(=O)NCCCCCC(=O)CCCNC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C1
• InChI: InChI=1S/C42H64N8O5S2.C42H63N7O6S2.C39H67N7O5S2.C37H63N7O4S2/c43-36-23-28-25-56-34(39(28)49-36)17-11-9-15-31(51)13-5-1-3-7-19-37(53)46-29-21-27(41(44)55)22-30(24-29)47-38(54)20-8-4-2-6-14-32(52)16-10-12-18-35-40-33(26-57-35)48-42(45)50-40;43-36-23-28-25-56-34(39(28)48-36)17-11-9-15-31(50)13-5-1-3-7-19-37(52)45-29-21-27(41(54)55)22-30(24-29)46-38(53)20-8-4-2-6-14-32(51)16-10-12-18-35-40-33(26-57-35)47-42(44)49-40;40-34-25-28-26-52-32(37(28)45-34)17-11-9-15-29(47)13-5-1-3-7-19-35(49)42-21-23-51-24-22-43-36(50)20-8-4-2-6-14-30(48)16-10-12-18-33-38-31(27-53-33)44-39(41)46-38;38-32-23-26-24-49-30(35(26)43-32)17-9-10-20-34(48)40-21-11-3-5-14-28(46)16-12-22-41-33(47)19-6-2-1-4-13-27(45)15-7-8-18-31-36-29(25-50-31)42-37(39)44-36/h21-22,24,28,33-35,39-40H,1-20,23,25-26H2,(H2,43,49)(H2,44,55)(H,46,53)(H,47,54)(H3,45,48,50);21-22,24,28,33-35,39-40H,1-20,23,25-26H2,(H2,43,48)(H,45,52)(H,46,53)(H,54,55)(H3,44,47,49);28,31-33,37-38H,1-27H2,(H2,40,45)(H,42,49)(H,43,50)(H3,41,44,46);26,29-31,35-36H,1-25H2,(H2,38,43)(H,40,48)(H,41,47)(H3,39,42,44)/t2*28-,33-,34-,35-,39-,40-;28-,31-,32-,33-,37-,38-;26-,29-,30-,31-,35-,36-/m0000/s1
• InChIKey: MVAZEKASNVGLHB-FEPVWTLDSA-N
• XLogP: 22.67
• TPSA: 814.14 Ų
• H-Bond Donors: 22
• H-Bond Acceptors: 47
• Rotatable Bonds: 111
• Heavy Atoms: 217
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3163.54
LogP ≤ 5	22.67
H-Bond Donors ≤ 5	22
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide?

The IUPAC name of 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide (CID 165032107) is 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide.

What is the SMILES notation for 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide?

The canonical SMILES for 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide is NC(=O)c1cc(NC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3CC(N)=N[C@@H]32)cc(NC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)c1.NC1=N[C@H]2[C@H](CS[C@H]2CCCCC(=O)CCCCCCC(=O)NCCOCCNC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C1.NC1=N[C@H]2[C@H](CS[C@H]2CCCCC(=O)CCCCCCC(=O)Nc2cc(NC(=O)CCCCCCC(=O)CCCC[C@@H]3SC[C@@H]4NC(N)=N[C@@H]43)cc(C(=O)O)c2)C1.NC1=N[C@H]2[C@H](CS[C@H]2CCCCC(=O)NCCCCCC(=O)CCCNC(=O)CCCCCCC(=O)CCCC[C@@H]2SC[C@@H]3NC(N)=N[C@@H]32)C1.

What is the InChIKey of 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide?

The InChIKey is MVAZEKASNVGLHB-FEPVWTLDSA-N. The full InChI is InChI=1S/C42H64N8O5S2.C42H63N7O6S2.C39H67N7O5S2.C37H63N7O4S2/c43-36-23-28-25-56-34(39(28)49-36)17-11-9-15-31(51)13-5-1-3-7-19-37(53)46-29-21-27(41(44)55)22-30(24-29)47-38(54)20-8-4-2-6-14-32(52)16-10-12-18-35-40-33(26-57-35)48-42(45)50-40;43-36-23-28-25-56-34(39(28)48-36)17-11-9-15-31(50)13-5-1-3-7-19-37(52)45-29-21-27(41(54)55)22-30(24-29)46-38(53)20-8-4-2-6-14-32(51)16-10-12-18-35-40-33(26-57-35)47-42(44)49-40;40-34-25-28-26-52-32(37(28)45-34)17-11-9-15-29(47)13-5-1-3-7-19-35(49)42-21-23-51-24-22-43-36(50)20-8-4-2-6-14-30(48)16-10-12-18-33-38-31(27-53-33)44-39(41)46-38;38-32-23-26-24-49-30(35(26)43-32)17-9-10-20-34(48)40-21-11-3-5-14-28(46)16-12-22-41-33(47)19-6-2-1-4-13-27(45)15-7-8-18-31-36-29(25-50-31)42-37(39)44-36/h21-22,24,28,33-35,39-40H,1-20,23,25-26H2,(H2,43,49)(H2,44,55)(H,46,53)(H,47,54)(H3,45,48,50);21-22,24,28,33-35,39-40H,1-20,23,25-26H2,(H2,43,48)(H,45,52)(H,46,53)(H,54,55)(H3,44,47,49);28,31-33,37-38H,1-27H2,(H2,40,45)(H,42,49)(H,43,50)(H3,41,44,46);26,29-31,35-36H,1-25H2,(H2,38,43)(H,40,48)(H,41,47)(H3,39,42,44)/t2*28-,33-,34-,35-,39-,40-;28-,31-,32-,33-,37-,38-;26-,29-,30-,31-,35-,36-/m0000/s1.

What are the key properties of 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide?

12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide has a molecular weight of 3163.54 g/mol, XLogP of 22.67, 111 rotatable bonds, 22 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-N-[2-[2-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]ethoxy]ethyl]-8-oxododecanamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzamide;3-[[12-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]-8-oxododecanoyl]amino]-5-[[12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanoyl]amino]benzoic acid;N-[9-[5-[(3aR,6S,6aS)-2-amino-3a,4,6,6a-tetrahydro-3H-thieno[3,4-b]pyrrol-6-yl]pentanoylamino]-4-oxononyl]-12-[(3aS,4S,6aR)-2-amino-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-4-yl]-8-oxododecanamide is sourced from PubChem (CID 165032107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).