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Urotensin II (human)

CAT: 0121-4029364.0005Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0121-4029364.0005Size:5 mg
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CAS Number
251293-28-4
Specifications
H-4768.0005
Synonyms
U-II (human)
Sequence
H-Glu-Thr-Pro-Asp-Cys-Phe-Trp-Lys-Tyr-Cys-Val-OH
Molecular Formula
C₆₄H₈₅N₁₃O₁₈S₂
Molecular Weight
1388.59
Shipping Conditions
Ambient Temperature
Storage Temperature
< -15°C

Chemical Information

Urotensin II, human
CAS Number251293-28-4
PubChem CID44358353
IUPAC Name4-amino-5-[[1-[2-[[1-[[10-(4-aminobutyl)-16-benzyl-4-[(1-carboxy-2-methylpropyl)carbamoyl]-7-[(4-hydroxyphenyl)methyl]-13-(1H-indol-3-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicos-19-yl]amino]-3-carboxy-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC64H85N13O18S2
Molecular Weight1388.6
XLogP-4.5
Topological Polar Surface Area553
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count22
Rotatable Bond Count27
Heavy Atom Count97
Formal Charge0
Complexity2740
SMILES
CC(C)C(C(=O)O)NC(=O)C1CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCCN)CC3=CNC4=CC=CC=C43)CC5=CC=CC=C5)NC(=O)C(CC(=O)O)NC(=O)C6CCCN6C(=O)C(C(C)O)NC(=O)C(CCC(=O)O)N
InChI
InChI=1S/C64H85N13O18S2/c1-33(2)52(64(94)95)75-61(91)48-32-97-96-31-47(73-59(89)46(29-51(82)83)72-62(92)49-17-11-25-77(49)63(93)53(34(3)78)76-54(84)40(66)22-23-50(80)81)60(90)70-43(26-35-12-5-4-6-13-35)56(86)71-45(28-37-30-67-41-15-8-7-14-39(37)41)58(88)68-42(16-9-10-24-65)55(85)69-44(57(87)74-48)27-36-18-20-38(79)21-19-36/h4-8,12-15,18-21,30,33-34,40,42-49,52-53,67,78-79H,9-11,16-17,22-29,31-32,65-66H2,1-3H3,(H,68,88)(H,69,85)(H,70,90)(H,71,86)(H,72,92)(H,73,89)(H,74,87)(H,75,91)(H,76,84)(H,80,81)(H,82,83)(H,94,95)
InChIKey
HFNHAPQMXICKCF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Urotensin II, human
CAS: 251293-28-4
CID: 44358353
Formula: C64H85N13O18S2
MW: 1388.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1388.6
XLogP3-4.5
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count22
Rotatable Bond Count27
Exact Mass1387.55769526
Monoisotopic Mass1387.55769526
Topological Polar Surface Area553 Ų
Heavy Atom Count97
Formal Charge0
Complexity2740
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count12
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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