BACITRACIN F

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C66H98N16O17S
Molecular Weight	1419.646
Optical Activity	UNSPECIFIED
Defined Stereocenters	13 / 13
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]1(NC(=O)[C@@H](CCCN)NC(=O)[C@H](CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@@H](CC3=CC=CC=C3)NC1=O)NC(=O)[C@@H](NC(=O)[C@@H](CCC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)C4=CSC(=N4)C(=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC

InChI

InChIKey=FCLQHQCOKGKLHR-QSGKKNHLSA-N

InChI=1S/C66H98N16O17S/c1-9-35(6)52(82-58(92)42(22-23-50(84)85)73-59(93)43(26-34(4)5)75-63(97)48-32-100-66(80-48)54(88)37(8)11-3)64(98)74-40-20-15-16-25-70-55(89)46(29-49(68)83)77-62(96)47(30-51(86)87)78-61(95)45(28-39-31-69-33-71-39)76-60(94)44(27-38-18-13-12-14-19-38)79-65(99)53(36(7)10-2)81-57(91)41(21-17-24-67)72-56(40)90/h12-14,18-19,31-37,40-47,52-53H,9-11,15-17,20-30,67H2,1-8H3,(H2,68,83)(H,69,71)(H,70,89)(H,72,90)(H,73,93)(H,74,98)(H,75,97)(H,76,94)(H,77,96)(H,78,95)(H,79,99)(H,81,91)(H,82,92)(H,84,85)(H,86,87)/t35-,36-,37-,40-,41+,42+,43-,44+,45-,46-,47+,52-,53-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BACITRACIN F

Common Name

English

L-ASPARAGINE, N-((2-((2S)-2-METHYL-1-OXOBUTYL)-4-THIAZOLYL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-D-ORNITHYL-L-ISOLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-, (10->4)-LACTAM

Systematic Name

English

4,10-ANHYDRO(N-((2-((2S)-2-METHYL-1-OXOBUTYL)-1,3-THIAZOL-4-YL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-D-ORNITHYL-L-ISOLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-L-ASPARAGINE)

Systematic Name

English

BACITRACIN IMPURITY E [EP IMPURITY]

Common Name

English

Code System Code Type Description

PUBCHEM

156613976

Created by admin on Sat Dec 16 18:56:32 GMT 2023 , Edited by admin on Sat Dec 16 18:56:32 GMT 2023

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EPA CompTox

DTXSID10858771

Created by admin on Sat Dec 16 18:56:32 GMT 2023 , Edited by admin on Sat Dec 16 18:56:32 GMT 2023

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FDA UNII

W7FFC6JWF9

Created by admin on Sat Dec 16 18:56:32 GMT 2023 , Edited by admin on Sat Dec 16 18:56:32 GMT 2023

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CAS

22601-63-4

Created by admin on Sat Dec 16 18:56:32 GMT 2023 , Edited by admin on Sat Dec 16 18:56:32 GMT 2023

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SUBSTANCE RECORD


					W7FFC6JWF9

BACITRACIN F