COLIMYCIN

Search structure
Status: Phase 3
Entry Type: Protein
Molecule Category: UNKNOWN
UNII: XW0E5YS77G

Structure
InChI Key RPABDKTXMKOGKI-OYTUFZPASA-N
Smile CCC(C)CCCCC(=O)NCC[C@@H]1NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC1=O
InChI
InChI=1S/C45H85N13O10/c1-8-27(6)11-9-10-12-36(60)50-22-17-33-42(65)58-37(28(7)59)45(68)55-32(16-21-49)39(62)51-29(13-18-46)38(61)52-30(14-19-47)40(63)56-34(23-25(2)3)43(66)53-31(15-20-48)41(64)57-35(24-26(4)5)44(67)54-33/h25-35,37,59H,8-24,46-49H2,1-7H3,(H,50,60)(H,51,62)(H,52,61)(H,53,66)(H,54,67)(H,55,68)(H,56,63)(H,57,64)(H,58,65)/t27?,28-,29+,30+,31+,32+,33+,34+,35+,37+/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C45H85N13O10
Molecular Weight 968.26
AlogP -3.14
Hydrogen Bond Acceptor 14.0
Hydrogen Bond Donor 14.0
Number of Rotational Bond 22.0
Polar Surface Area 386.21
Molecular species BASE
Aromatic Rings 0.0
Heavy Atoms 68.0

Cross References

Resources Reference
ChEMBL CHEMBL507048
FDA SRS XW0E5YS77G
CONTENTS