Salinamide A

CAT: 0931-T26175-02Size: 500 mgDry Ice: NoHazardous: No

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CAT#:0931-T26175-02Size:500 mg

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CAS Number

152340-22-2

Target

Others

Related Pathways

Others

Bioactivity

Salinamide A is an effective anti-inflammatory bicyclic depsipeptide.

Smiles

[H][C@]12COC(=O)CNC(=O)\C=C/[C@]3(CO3)[C@@H](C)Oc3ccc(cc3)[C@]([H])(NC(=O)[C@]([H])(NC(=O)[C@@H](NC(=O)[C@H](C)[C@H](O)C(C)C)[C@@H](C)OC1=O)[C@@H](C)CC)C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)N[C@]([H])([C@@H](C)O)C(=O)N2 |c:10|

Molecular Formula

C51H69N7O15

Molecular Weight

1020.147

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Salinamide A

Salinamide A is a cyclodepsipeptide.

CAS Number	152340-22-2
PubChem CID	10102536
IUPAC Name	(2S,3S)-N-[(1R,7S,8R,9E,17R,20S,21R,24S,29R,32S)-29-benzyl-24-[(2R)-butan-2-yl]-32-[(1S)-1-hydroxyethyl]-7,20,28-trimethyl-11,14,18,22,25,27,30,33-octaoxospiro[6,15,19-trioxa-12,23,26,28,31,34-hexazatricyclo[15.9.8.22,5]hexatriaconta-2(36),3,5(35),9-tetraene-8,2'-oxirane]-21-yl]-3-hydroxy-2,4-dimethylpentanamide
Molecular Formula	C51H69N7O15
Molecular Weight	1020.1
XLogP	3.4
Topological Polar Surface Area	310
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	9
Heavy Atom Count	73
Formal Charge	0
Complexity	2020

SMILES

CC[C@@H](C)[C@H]1C(=O)N[C@@H]2C3=CC=C(C=C3)O[C@H]([C@]4(CO4)/C=C/C(=O)NCC(=O)OC[C@H](C(=O)O[C@H]([C@H](C(=O)N1)NC(=O)[C@@H](C)[C@H](C(C)C)O)C)NC(=O)[C@@H](NC(=O)[C@H](N(C2=O)C)CC5=CC=CC=C5)[C@H](C)O)C

InChI

InChI=1S/C51H69N7O15/c1-10-27(4)39-46(65)57-42-33-16-18-34(19-17-33)73-31(8)51(25-71-51)21-20-37(60)52-23-38(61)70-24-35(50(69)72-30(7)41(48(67)54-39)56-44(63)28(5)43(62)26(2)3)53-47(66)40(29(6)59)55-45(64)36(58(9)49(42)68)22-32-14-12-11-13-15-32/h11-21,26-31,35-36,39-43,59,62H,10,22-25H2,1-9H3,(H,52,60)(H,53,66)(H,54,67)(H,55,64)(H,56,63)(H,57,65)/b21-20+/t27-,28+,29+,30+,31+,35-,36-,39+,40+,41-,42-,43+,51-/m1/s1

InChIKey

UIHLRTKYJPYYEU-OBBNVNRZSA-N

Chemical Structure

2D Structure

CAS: 152340-22-2

CID: 10102536

Formula: C51H69N7O15

MW: 1020.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1020.1
XLogP3	3.4
Hydrogen Bond Donor Count	8
Hydrogen Bond Acceptor Count	15
Rotatable Bond Count	9
Exact Mass	1019.48516452
Monoisotopic Mass	1019.48516452
Topological Polar Surface Area	310 Å²
Heavy Atom Count	73
Formal Charge	0
Complexity	2020
Isotope Atom Count	0
Defined Atom Stereocenter Count	13
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
T34492-01	Salinazid
T34496-01	Salmfamide 1

Alternative Products

Catalog	Name
592525-01	Salinamide A
CGA34023-01	Salinamide B

Salinamide A

Chemical Information

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