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Atriopeptin II (rat, mouse)

CAT: 0931-TP2547-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-TP2547-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
89139-54-8
Bioactivity
Atriopeptin II rat, mouse, is an atrial natriuretic peptide that functions as both a diuretic and a natriuretic agent, while also serving as a potent relaxant of vascular smooth muscle [1].
Smiles
[C@@H](CC1=CC=CC=C1)(NC([C@@H](NC([C@@H](NC(=O)[C@@H]2CSSC[C@H](NC([C@@H](NC([C@H](CO)N)=O)CO)=O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]([C@H](CC)C)(C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@]([C@H](CC)C)(C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N2)[H])[H])CC(N)=O)=O)CO)=O)C(N[C@@H](CCCNC(=N)N)C(O)=O)=O
Molecular Formula
C98H156N34O32S2
Molecular Weight
2386.63
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Atrial natriuretic factor (5-27)
CAS Number89139-54-8
PubChem CID16132367
IUPAC Name(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,49S,52R)-52-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-34-(carboxymethyl)-16-(hydroxymethyl)-22-methyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacontane-4-carbonyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-5-carbamimidamidopentanoic acid
Molecular FormulaC98H156N34O32S2
Molecular Weight2386.6
XLogP-12.8
Topological Polar Surface Area1140
Hydrogen Bond Donor Count40
Hydrogen Bond Acceptor Count38
Rotatable Bond Count49
Heavy Atom Count166
Formal Charge0
Complexity5220
SMILES
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)NCC(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)[C@@H](C)CC)CCCNC(=N)N)CC2=CC=CC=C2)NC(=O)[C@H](CO)NC(=O)[C@H](CO)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CC(C)C)CO)CCC(=O)N)C
InChI
InChI=1S/C98H156N34O32S2/c1-8-48(5)76-93(161)115-38-71(140)116-50(7)78(146)120-56(26-27-68(100)137)83(151)128-63(42-134)82(150)114-39-73(142)118-58(31-47(3)4)80(148)113-40-74(143)119-66(91(159)125-61(34-69(101)138)87(155)129-65(44-136)89(157)124-60(33-52-21-14-11-15-22-52)86(154)122-57(95(163)164)25-18-30-110-98(106)107)45-165-166-46-67(130-90(158)64(43-135)127-79(147)53(99)41-133)92(160)123-59(32-51-19-12-10-13-20-51)81(149)112-36-70(139)111-37-72(141)117-54(23-16-28-108-96(102)103)84(152)132-77(49(6)9-2)94(162)126-62(35-75(144)145)88(156)121-55(85(153)131-76)24-17-29-109-97(104)105/h10-15,19-22,47-50,53-67,76-77,133-136H,8-9,16-18,23-46,99H2,1-7H3,(H2,100,137)(H2,101,138)(H,111,139)(H,112,149)(H,113,148)(H,114,150)(H,115,161)(H,116,140)(H,117,141)(H,118,142)(H,119,143)(H,120,146)(H,121,156)(H,122,154)(H,123,160)(H,124,157)(H,125,159)(H,126,162)(H,127,147)(H,128,151)(H,129,155)(H,130,158)(H,131,153)(H,132,152)(H,144,145)(H,163,164)(H4,102,103,108)(H4,104,105,109)(H4,106,107,110)/t48-,49-,50-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,76-,77-/m0/s1
InChIKey
MAGGONBKRAPXMU-KJZYAOAHSA-N
Chemical Structure
2D Structure
2D structure of Atrial natriuretic factor (5-27)
CAS: 89139-54-8
CID: 16132367
Formula: C98H156N34O32S2
MW: 2386.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight2386.6
XLogP3-12.8
Hydrogen Bond Donor Count40
Hydrogen Bond Acceptor Count38
Rotatable Bond Count49
Exact Mass2386.1099861
Monoisotopic Mass2385.1066313
Topological Polar Surface Area1140 Ų
Heavy Atom Count166
Formal Charge0
Complexity5220
Isotope Atom Count0
Defined Atom Stereocenter Count20
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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