Chemical Property of Subtilosin A
Chemical Property:
- XLogP3:-11.2
- Hydrogen Bond Donor Count:42
- Hydrogen Bond Acceptor Count:46
- Rotatable Bond Count:93
- Exact Mass:3014.4493385
- Heavy Atom Count:209
- Complexity:6980
- Purity/Quality:
-
99%, *data from raw suppliers
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
Useful:
- Canonical SMILES:CCC(C)C(C(=O)NC(C)C(=O)NCC(=O)NC(C)C(=O)NCC(=O)O)NC(=O)CNC(=O)C(CC(=O)O)NC(=O)C1CCCN1C(=O)C(C(C)CC)NC(=O)C2CCCN2C(=O)CNC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(CS)NC(=O)C(C)NC(=O)C(C)NC(=O)CNC(=O)C(C(C)CC)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CS)NC(=O)CNC(=O)C(CCCCN)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(CC(C)C)NC(=O)CN
- Isomeric SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](C)C(=O)NCC(=O)O)NC(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CNC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CN
