Dihydrochlamydocin

CAT: 0862-GW5990-1mgSize: 1 mgDry Ice: NoHazardous: No

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CAT#:0862-GW5990-1mgSize:1 mg

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CAS Number

157618-75-2

Storage Conditions

-20°C

Hazardous Class

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Chemical Information

(3S,9S,12R)-3-Benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone

2-amino-8-oxo-9-hydroxydecanoic acid is an oligopeptide.

CAS Number	157618-75-2
PubChem CID	10392191
IUPAC Name	(3S,9S,12R)-3-benzyl-9-[(7R)-7-hydroxy-6-oxooctyl]-6,6-dimethyl-1,4,7,10-tetrazabicyclo[10.3.0]pentadecane-2,5,8,11-tetrone
Molecular Formula	C28H40N4O6
Molecular Weight	528.6
XLogP	1.7
Topological Polar Surface Area	145
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Heavy Atom Count	38
Formal Charge	0
Complexity	885

SMILES

C[C@H](C(=O)CCCCC[C@H]1C(=O)NC(C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N1)CC3=CC=CC=C3)(C)C)O

InChI

InChI=1S/C28H40N4O6/c1-18(33)23(34)15-9-5-8-13-20-24(35)31-28(2,3)27(38)30-21(17-19-11-6-4-7-12-19)26(37)32-16-10-14-22(32)25(36)29-20/h4,6-7,11-12,18,20-22,33H,5,8-10,13-17H2,1-3H3,(H,29,36)(H,30,38)(H,31,35)/t18-,20+,21+,22-/m1/s1

InChIKey

UXOLDMJAFJDQSE-RYFAJOAYSA-N

Chemical Structure

2D Structure

CAS: 157618-75-2

CID: 10392191

Formula: C28H40N4O6

MW: 528.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	528.6
XLogP3	1.7
Hydrogen Bond Donor Count	4
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	9
Exact Mass	528.29478501
Monoisotopic Mass	528.29478501
Topological Polar Surface Area	145 Å²
Heavy Atom Count	38
Formal Charge	0
Complexity	885
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
T40603	Dihydrochlamydocin
TP3076-01	Dihydrochlamydocin analog-1

Dihydrochlamydocin

Chemical Information

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