Chemical Property of CID 16198954
Chemical Property:
- PSA：0.00000
- LogP:0.00000
- XLogP3:-2.3
- Hydrogen Bond Donor Count:52
- Hydrogen Bond Acceptor Count:52
- Rotatable Bond Count:126
- Exact Mass:4719.7099514
- Heavy Atom Count:339
- Complexity:12300
- Purity/Quality:
-
99% *data from raw suppliers
PR39 *data from reagent suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
Useful:
- Canonical SMILES:CCC(C)C(C(=O)N1CCCC1C(=O)N2CCCC2C(=O)NCC(=O)NC(CC3=CC=CC=C3)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CCCNC(=N)N)C(=O)NC(CC6=CC=CC=C6)C(=O)N7CCCC7C(=O)N8CCCC8C(=O)NC(CCCNC(=N)N)C(=O)NC(CC9=CC=CC=C9)C(=O)N1CCCC1C(=O)O)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC1=CC=CC=C1)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CC(C)C)NC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C1CCCN1C(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)N
- Isomeric SMILES:CC[C@H](C)[C@@H](C(=O)N1CCC[C@H]1C(=O)N2CCC[C@H]2C(=O)NCC(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N5CCC[C@H]5C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N7CCC[C@H]7C(=O)N8CCC[C@H]8C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC9=CC=CC=C9)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)N
