POLYMYXIN D1

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C50H93N15O15
Molecular Weight	1144.3649
Optical Activity	UNSPECIFIED
Defined Stereocenters	14 / 14
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZVVRUVGEGUZQHF-VJELORCESA-N

InChI=1S/C50H93N15O15/c1-8-26(4)11-9-10-12-37(70)56-30(13-18-51)44(74)64-40(29(7)69)50(80)62-36(24-66)47(77)59-34-17-22-55-48(78)38(27(5)67)63-45(75)33(16-21-54)58-41(71)32(15-20-53)60-49(79)39(28(6)68)65-46(76)35(23-25(2)3)61-42(72)31(14-19-52)57-43(34)73/h25-36,38-40,66-69H,8-24,51-54H2,1-7H3,(H,55,78)(H,56,70)(H,57,73)(H,58,71)(H,59,77)(H,60,79)(H,61,72)(H,62,80)(H,63,75)(H,64,74)(H,65,76)/t26-,27+,28+,29+,30-,31-,32-,33-,34-,35+,36+,38-,39-,40-/m0/s1

HIDE SMILES / InChI

Molecular Formula	C50H93N15O15
Molecular Weight	1144.3649
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 09:52:49 GMT 2023` Edited by `admin` on `Sat Dec 16 09:52:49 GMT 2023`
Record UNII	K82TF60S44
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

POLYMYXIN D1

Common Name

English

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

Common Name

English

POLYMYXIN D1 [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

76960674