POLYMYXIN B2

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C55H96N16O13
Molecular Weight	1189.4501
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](CC2=CC=CC=C2)NC(=O)[C@H](CCN)NC1=O)[C@@H](C)O

InChI

InChIKey=SGPYLFWAQBAXCZ-RUDZPDEXSA-N

InChI=1S/C55H96N16O13/c1-30(2)12-10-11-15-43(74)62-35(16-22-56)50(79)71-45(33(6)73)55(84)67-38(19-25-59)47(76)66-40-21-27-61-54(83)44(32(5)72)70-51(80)39(20-26-60)64-46(75)36(17-23-57)65-52(81)41(28-31(3)4)68-53(82)42(29-34-13-8-7-9-14-34)69-48(77)37(18-24-58)63-49(40)78/h7-9,13-14,30-33,35-42,44-45,72-73H,10-12,15-29,56-60H2,1-6H3,(H,61,83)(H,62,74)(H,63,78)(H,64,75)(H,65,81)(H,66,76)(H,67,84)(H,68,82)(H,69,77)(H,70,80)(H,71,79)/t32-,33-,35+,36+,37+,38+,39+,40+,41+,42-,44+,45+/m1/s1

HIDE SMILES / InChI

Molecular Formula	C55H96N16O13
Molecular Weight	1189.4501
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 15:50:38 GMT 2023` Edited by `admin` on `Fri Dec 15 15:50:38 GMT 2023`
Record UNII	99SJO09VH2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POLYMYXIN B2

Common Name

English

N2-(6-METHYL-1-OXOHEPTYL)-L-2,4-DIAMINOBUTANOYL-L-THREONYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-D-PHENYLALANYL-L-LEUCYL-L-2,4-DIAMINOBUTANOYL-L-2,4-DIAMINOBUTANOYL-L-THREONINE (10->4)-LACTAM

Systematic Name

English

POLYMYXIN B1, 1-((2S)-4-AMINO-2-((6-METHYL-1-OXOHEPTYL)AMINO)BUTANOIC ACID)-

Common Name

English

POLYMYXIN B2 [MI]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C78160