BACITRACIN J2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C67H103N17O16S
Molecular Weight	1434.704
Optical Activity	UNSPECIFIED
Defined Stereocenters	15 / 15
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC[C@H](C)[C@H](N)C1=N[C@@H](CS1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(O)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@H]2CCCCNC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CC(O)=O)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@@H](NC(=O)[C@@H](CCCN)NC2=O)[C@@H](C)CC=C

InChI

InChIKey=NXZOGWYPAUYHSR-NXIFAQLTSA-N

InChI=1S/C67H103N17O16S/c1-9-18-38(8)55-66(100)81-45(28-39-19-13-12-14-20-39)61(95)78-46(29-40-32-71-34-73-40)62(96)80-48(31-52(88)89)63(97)79-47(30-50(69)85)56(90)72-26-16-15-21-41(57(91)74-42(22-17-25-68)58(92)84-55)76-65(99)54(37(7)11-3)83-59(93)43(23-24-51(86)87)75-60(94)44(27-35(4)5)77-64(98)49-33-101-67(82-49)53(70)36(6)10-2/h9,12-14,19-20,32,34-38,41-49,53-55H,1,10-11,15-18,21-31,33,68,70H2,2-8H3,(H2,69,85)(H,71,73)(H,72,90)(H,74,91)(H,75,94)(H,76,99)(H,77,98)(H,78,95)(H,79,97)(H,80,96)(H,81,100)(H,83,93)(H,84,92)(H,86,87)(H,88,89)/t36-,37-,38-,41-,42+,43+,44-,45+,46-,47-,48+,49-,53-,54-,55-/m0/s1

HIDE SMILES / InChI

Approval Year

Name

Type

Language

BACITRACIN J2

Common Name

English

BACITRACIN IMPURITY P [EP IMPURITY]

Preferred Name

English

L-ASPARAGINE, N-(((4R)-2-((1S,2S)-1-AMINO-2-METHYLBUTYL)-4,5-DIHYDRO-4-THIAZOLYL)CARBONYL)-L-LEUCYL-D-.ALPHA.-GLUTAMYL-L-ISOLEUCYL-L-LYSYL-D-ORNITHYL-(3S)-5,6-DIDEHYDRO-3-METHYL-L-NORLEUCYL-D-PHENYLALANYL-L-HISTIDYL-D-.ALPHA.-ASPARTYL-, (10->4)-LACTAM

Systematic Name

English

Code System Code Type Description

PUBCHEM

171390014

Created by admin on Wed Apr 02 13:35:10 GMT 2025 , Edited by admin on Wed Apr 02 13:35:10 GMT 2025

PRIMARY

FDA UNII

TVA7US8E9M

Created by admin on Wed Apr 02 13:35:10 GMT 2025 , Edited by admin on Wed Apr 02 13:35:10 GMT 2025

PRIMARY

CAS

1301601-40-0

Created by admin on Wed Apr 02 13:35:10 GMT 2025 , Edited by admin on Wed Apr 02 13:35:10 GMT 2025

PRIMARY

SUBSTANCE RECORD


					TVA7US8E9M

BACITRACIN J2