CIRCULIN B

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C52H98N16O13
Molecular Weight	1155.4339
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=DRHFCEIZVVAMEH-GZQYODANSA-N

InChI=1S/C52H98N16O13/c1-9-29(6)40-51(80)63-34(16-22-55)43(72)61-36(18-24-57)48(77)67-41(30(7)69)50(79)58-25-19-37(46(75)60-33(15-21-54)45(74)65-38(26-28(4)5)49(78)66-40)62-44(73)35(17-23-56)64-52(81)42(31(8)70)68-47(76)32(14-20-53)59-39(71)13-11-10-12-27(2)3/h27-38,40-42,69-70H,9-26,53-57H2,1-8H3,(H,58,79)(H,59,71)(H,60,75)(H,61,72)(H,62,73)(H,63,80)(H,64,81)(H,65,74)(H,66,78)(H,67,77)(H,68,76)/t29-,30+,31+,32-,33-,34-,35-,36-,37-,38+,40-,41-,42-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C52H98N16O13
Molecular Weight	1155.4339
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	13 / 13
E/Z Centers	3
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:15:56 GMT 2025` Edited by `admin` on `Mon Mar 31 23:15:56 GMT 2025`
Record UNII	3OBV7A2JKJ
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CIRCULIN B

Common Name

English

7-ISOLEUCINE -POLYMYXIN E2

Preferred Name

English

L-THREONINE, (2S)-4-AMINO-2-((6-METHYL-1-OXOHEPTYL)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-, (10->4)-LACTAM

Systematic Name

English

N.ALPHA.-(6-METHYL-1-OXOHEPTYL)-L-.ALPHA.,.GAMMA.-DIAMINOBUTYRYL-L-THREONYL-L-.ALPHA.,.GAMMA.-DIAMINOBUTYRYL-L-.ALPHA.,.GAMMA.-DIAMINOBUTYRYL-L-.ALPHA.,.GAMMA.-DIAMINOBUTYRYL-D-LEUCYL-L-ISOLEUCYL-L-.ALPHA.,.GAMMA.-DIAMINOBUTYRYL-L-.ALPHA.,.GAMMA.-DIAMINO

Systematic Name

English

CIRCULIN B (BACILLUS CIRCULANS)

Common Name

English

Code System Code Type Description

CAS

20905-50-4

Created by admin on Mon Mar 31 23:15:56 GMT 2025 , Edited by admin on Mon Mar 31 23:15:56 GMT 2025

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PUBCHEM

10374062

Created by admin on Mon Mar 31 23:15:56 GMT 2025 , Edited by admin on Mon Mar 31 23:15:56 GMT 2025

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FDA UNII

3OBV7A2JKJ

Created by admin on Mon Mar 31 23:15:56 GMT 2025 , Edited by admin on Mon Mar 31 23:15:56 GMT 2025

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