CIRCULIN A

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C53H100N16O13
Molecular Weight	1169.4605
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=CQLCVUOURZVYSE-DWPOUDBJSA-N

InChI=1S/C53H100N16O13/c1-9-29(5)13-11-12-14-40(72)60-33(15-21-54)48(77)69-43(32(8)71)53(82)65-36(18-24-57)45(74)63-38-20-26-59-51(80)42(31(7)70)68-49(78)37(19-25-58)62-44(73)35(17-23-56)64-52(81)41(30(6)10-2)67-50(79)39(27-28(3)4)66-46(75)34(16-22-55)61-47(38)76/h28-39,41-43,70-71H,9-27,54-58H2,1-8H3,(H,59,80)(H,60,72)(H,61,76)(H,62,73)(H,63,74)(H,64,81)(H,65,82)(H,66,75)(H,67,79)(H,68,78)(H,69,77)/t29-,30-,31+,32+,33-,34-,35-,36-,37-,38-,39+,41-,42-,43-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C53H100N16O13
Molecular Weight	1169.4605
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	14 / 14
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:28:44 GMT 2023` Edited by `admin` on `Sat Dec 16 10:28:44 GMT 2023`
Record UNII	5EQC2W0FWU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIRCULIN A

Common Name

English

CIRCULIN A (BACILLUS CIRCULANS)

Common Name

English

7-L-ISOLEUCINEPOLYMYXIN E1

Common Name

English

7-ISOLEUCINE-POLYMYXIN E1

Common Name

English

COLISTIN III

Common Name

English

(2S)-4-AMINO-2-(((6S)-6-METHYL-1-OXOOCTYL)AMINO)BUTANOYL-L-THREONYL-(2S)-2,4-DIAMINOBUTANOYL-(2S)-2,4-DIAMINOBUTANOYL-(2S)-2,4-DIAMINOBUTANOYL-D-LEUCYL-L-ISOLEUCYL-(2S)-2,4-DIAMINOBUTANOYL-(2S)-2,4-DIAMINOBUTANOYL-L-THREONINE (10->4)-LACTAM

Systematic Name

English

Code System Code Type Description

PUBCHEM

124220553

Created by admin on Sat Dec 16 10:28:44 GMT 2023 , Edited by admin on Sat Dec 16 10:28:44 GMT 2023

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EPA CompTox

DTXSID10891320

Created by admin on Sat Dec 16 10:28:44 GMT 2023 , Edited by admin on Sat Dec 16 10:28:44 GMT 2023

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CAS

1271111-95-5

Created by admin on Sat Dec 16 10:28:44 GMT 2023 , Edited by admin on Sat Dec 16 10:28:44 GMT 2023

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FDA UNII

5EQC2W0FWU

Created by admin on Sat Dec 16 10:28:44 GMT 2023 , Edited by admin on Sat Dec 16 10:28:44 GMT 2023

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