C147H264N20O66 — CID 147311794
N-[3-[[3-[(1-amino-1,5,6-trioxohexan-2-yl)amino]-2-[2,3-bis[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]propanoylamino]-3-oxopropyl]amino]-2-[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]-3-oxopropyl]-6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanamide (PubChem CID 147311794) has the molecular formula C147H264N20O66 and a molecular weight of 3367.80 g/mol. Its IUPAC name is N-[3-[[3-[(1-amino-1,5,6-trioxohexan-2-yl)amino]-2-[2,3-bis[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]propanoylamino]-3-oxopropyl]amino]-2-[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]-3-oxopropyl]-6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanamide.
| Compound Name | N-[3-[[3-[(1-amino-1,5,6-trioxohexan-2-yl)amino]-2-[2,3-bis[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]propanoylamino]-3-oxopropyl]amino]-2-[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]-3-oxopropyl]-6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanamide |
|---|---|
| PubChem CID | 147311794 |
| Molecular Formula | C147H264N20O66 |
| Molecular Weight | 3367.80 g/mol |
| Exact Mass | 3365.79 |
| IUPAC Name | N-[3-[[3-[(1-amino-1,5,6-trioxohexan-2-yl)amino]-2-[2,3-bis[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]propanoylamino]-3-oxopropyl]amino]-2-[[6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanoyl]amino]-3-oxopropyl]-6-[[2-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetyl]amino]-2-[3-[2-[2-[[2-[2-(2-methoxyethoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]-2-oxopropyl]hexanamide |
| SMILES | COCCOCCOCC(=O)NCCOCCOCC(=O)CC(CCCCNC(=O)COCCOCCNC(=O)COCCOCCOC)C(=O)NCC(NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCOC)CC(=O)COCCOCCNC(=O)COCCOCCOC)C(=O)NCC(NC(=O)C(CNC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCOC)CC(=O)COCCOCCNC(=O)COCCOCCOC)NC(=O)C(CCCCNC(=O)COCCOCCNC(=O)COCCOCCOC)CC(=O)COCCOCCNC(=O)COCCOCCOC)C(=O)NC(CCC(=O)C=O)C(N)=O |
| InChI | InChI=1S/C147H264N20O66/c1-194-43-51-210-67-83-226-107-132(178)153-27-35-202-59-75-218-99-120(170)91-115(17-9-13-23-149-128(174)103-222-79-63-206-39-31-157-136(182)111-230-87-71-214-55-47-198-5)141(187)161-95-125(165-143(189)117(93-122(172)101-220-77-61-204-37-29-155-134(180)109-228-85-69-212-53-45-196-3)19-11-15-25-151-130(176)105-224-81-65-208-41-33-159-138(184)113-232-89-73-216-57-49-200-7)145(191)163-97-127(146(192)164-124(140(148)186)22-21-119(169)98-168)167-147(193)126(166-144(190)118(94-123(173)102-221-78-62-205-38-30-156-135(181)110-229-86-70-213-54-46-197-4)20-12-16-26-152-131(177)106-225-82-66-209-42-34-160-139(185)114-233-90-74-217-58-50-201-8)96-162-142(188)116(92-121(171)100-219-76-60-203-36-28-154-133(179)108-227-84-68-211-52-44-195-2)18-10-14-24-150-129(175)104-223-80-64-207-40-32-158-137(183)112-231-88-72-215-56-48-199-6/h98,115-118,124-127H,9-97,99-114H2,1-8H3,(H2,148,186)(H,149,174)(H,150,175)(H,151,176)(H,152,177)(H,153,178)(H,154,179)(H,155,180)(H,156,181)(H,157,182)(H,158,183)(H,159,184)(H,160,185)(H,161,187)(H,162,188)(H,163,191)(H,164,192)(H,165,189)(H,166,190)(H,167,193) |
| InChIKey | CYCBPUQGXGQYBU-UHFFFAOYSA-N |
| XLogP | -11.61 |
| TPSA | 1067.61 Ų |
| H-Bond Donors | 20 |
| H-Bond Acceptors | 66 |
| Rotatable Bonds | 178 |
| Heavy Atoms | 233 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3367.80 |
| LogP ≤ 5 | -11.61 |
| H-Bond Donors ≤ 5 | 20 |
| H-Bond Acceptors ≤ 10 | 66 |
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'} |
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