COLISTIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H98N16O13
Molecular Weight	1155.4339
Optical Activity	UNSPECIFIED
Defined Stereocenters	12 / 12
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@](NC(=O)[C@H](CCN)NC(=O)CCCCC(C)C)([C@@H](C)O)C(=O)N[C@@H](CCN)C(=O)N[C@H]1CCNC(=O)[C@@]([H])(NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

InChI

InChIKey=KNIWPHSUTGNZST-SSWRVQTPSA-N

InChI=1S/C52H98N16O13/c1-27(2)11-9-10-12-40(71)59-32(13-19-53)47(76)68-42(31(8)70)52(81)64-35(16-22-56)44(73)63-37-18-24-58-51(80)41(30(7)69)67-48(77)36(17-23-57)61-43(72)33(14-20-54)62-49(78)38(25-28(3)4)66-50(79)39(26-29(5)6)65-45(74)34(15-21-55)60-46(37)75/h27-39,41-42,69-70H,9-26,53-57H2,1-8H3,(H,58,80)(H,59,71)(H,60,75)(H,61,72)(H,62,78)(H,63,73)(H,64,81)(H,65,74)(H,66,79)(H,67,77)(H,68,76)/t30-,31-,32+,33+,34+,35+,36+,37+,38+,39-,41+,42+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C52H98N16O13
Molecular Weight	1155.4339
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	12 / 12
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:56:51 UTC 2023` Edited by `admin` on `Fri Dec 15 15:56:51 UTC 2023`
Record UNII	B142O7Y03E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

COLISTIN B

Common Name

English

POLYMYXIN E2

Common Name

English

COLISTIN B [MI]

Common Name

English

Colistin b [WHO-DD]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78160