Chemical Property of Pediocin ach
Chemical Property:
- XLogP3:-22.2
- Hydrogen Bond Donor Count:68
- Hydrogen Bond Acceptor Count:74
- Rotatable Bond Count:150
- Exact Mass:4627.0734914
- Heavy Atom Count:322
- Complexity:11600
- Purity/Quality:
-
Safty Information:
- Pictogram(s):
- Hazard Codes:
- MSDS Files:
-
Useful:
- Canonical SMILES:CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NCC(=O)NC(C)C(=O)NC(CCSC)C(=O)NC(C)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(C)C(=O)NC(C(C)O)C(=O)NCC(=O)NCC(=O)NC(CC3C=NC=N3)C(=O)NC(CCC(=O)N)C(=O)NCC(=O)NC(CC(=O)N)C(=O)OC(=O)C(CS)NC(=O)C(CCCCN)NC(=O)C(CC4C=NC=N4)N)NC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(C(C)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC(=O)O)NC(=O)C(C(C)C)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CO)NC(=O)C(CC7C=NC=N7)NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CS)NC(=O)C(C(C)O)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(CC8=CC=C(C=C8)O)NC(=O)C(CC9=CC=C(C=C9)O)NC(=O)C(CCCCN)N
- Isomeric SMILES:CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)NCC(=O)N[C@@H](CC3C=NC=N3)C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N[C@@H](CC(=O)N)C(=O)OC(=O)[C@H](CS)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC4C=NC=N4)N)NC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC5=CNC6=CC=CC=C65)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@H](CO)NC(=O)[C@H](CC7C=NC=N7)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)[C@H](CC8=CC=C(C=C8)O)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@H](CCCCN)N
