Products for Research Use Only
RegisterLogin

Hydrin 1′

CAT: 0931-T82149-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T82149-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
148440-73-7
Target
Oxytocin Receptor
Related Pathways
Endocrinology/Hormones, GPCR/G Protein
Bioactivity
Hydrin 1′, isolated from the neurohypophysis of Xenopus, exhibits significant steroid-releasing activity in the species' adrenal gland in vitro [1].
Smiles
C(=O)(N1[C@H](C(N[C@H](C(NCC(NCC(N[C@@H](CCCCN)C(O)=O)=O)=O)=O)CCCNC(=N)N)=O)CCC1)[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]([C@H](CC)C)(NC(=O)[C@H](CC3=CC=C(O)C=C3)NC(=O)[C@@H](N)CSSC2)[H]
Molecular Formula
C51H81N17O15S2
Molecular Weight
1236.42
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Hydrin 1'
CAS Number148440-73-7
PubChem CID71312155
IUPAC Name(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]hexanoic acid
Molecular FormulaC51H81N17O15S2
Molecular Weight1236.4
XLogP-7.9
Topological Polar Surface Area593
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count20
Rotatable Bond Count27
Heavy Atom Count85
Formal Charge0
Complexity2380
SMILES
CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)O)CC(=O)N)CCC(=O)N
InChI
InChI=1S/C51H81N17O15S2/c1-3-26(2)41-48(80)63-31(15-16-37(54)70)44(76)65-34(21-38(55)71)45(77)66-35(25-85-84-24-29(53)42(74)64-33(46(78)67-41)20-27-11-13-28(69)14-12-27)49(81)68-19-7-10-36(68)47(79)62-30(9-6-18-58-51(56)57)43(75)60-22-39(72)59-23-40(73)61-32(50(82)83)8-4-5-17-52/h11-14,26,29-36,41,69H,3-10,15-25,52-53H2,1-2H3,(H2,54,70)(H2,55,71)(H,59,72)(H,60,75)(H,61,73)(H,62,79)(H,63,80)(H,64,74)(H,65,76)(H,66,77)(H,67,78)(H,82,83)(H4,56,57,58)/t26-,29-,30-,31-,32-,33-,34-,35-,36-,41-/m0/s1
InChIKey
YWRWVVYMJJBIRH-IWZJHKITSA-N
Chemical Structure
2D Structure
2D structure of Hydrin 1'
CAS: 148440-73-7
CID: 71312155
Formula: C51H81N17O15S2
MW: 1236.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1236.4
XLogP3-7.9
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count20
Rotatable Bond Count27
Exact Mass1235.55394729
Monoisotopic Mass1235.55394729
Topological Polar Surface Area593 Ų
Heavy Atom Count85
Formal Charge0
Complexity2380
Isotope Atom Count0
Defined Atom Stereocenter Count10
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
T8803-01Valtrate Hydrine B4
T5790-011,1,1,1-Kestohexaose
T83125-01AMPK-α1β1γ1 activator 1
T404761,1,1-Tribromoacetone
T78868-01TWIK-1/TREK-1-IN-1
T391821-Bromo-1,1-dichloroacetone
T391621,1,1,3-Tetrachloroacetone
T73743-011,1′,1′′,1′′′-[1,4-Piperazinediylbis (2,1-ethanediylnitrilo) ]tetrakis[2-dodecanol]
T211817-01C22:1 1-Deoxyceramide (m18:1/22:1)
T209355-01Bfl-1-IN-1

Alternative Products

CatalogName
H-1558.0001Hydrin 1'
H-8840.0001Hydrin 1
FH110355-01Hydrin 2
GTR19034876-01Hydrin 1′

Popular Products