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Prepro VIP (111-122), human

CAT: 0931-TP1627-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-TP1627-01Size:100 mg
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CAS Number
123025-94-5
Bioactivity
Prepro VIP (111-122), human, is a peptide derived from prepro-vasoactive intestinal polypeptide (VIP), corresponding to residues 111-122.
Smiles
C([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C(C)C)N)=O)CO)=O)CO)=O)CC(N)=O)=O)[C@H](CC)C)=O)CO)=O)CCC(O)=O)=O)CC(O)=O)(=O)N1[C@H](C(N[C@H](C(=O)N2[C@H](C(N[C@@H](C(C)C)C(O)=O)=O)CCC2)[C@H](C)C)=O)CCC1
Molecular Formula
C53H87N13O21
Molecular Weight
1242.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Preprovasoactive intestinal peptide (111-122)
CAS Number123025-94-5
PubChem CID129871
IUPAC Name(4S)-4-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-methylbutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-5-[[(2S)-3-carboxy-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(1S)-1-carboxy-2-methylpropyl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC53H87N13O21
Molecular Weight1242.3
XLogP-7
Topological Polar Surface Area544
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count22
Rotatable Bond Count36
Heavy Atom Count87
Formal Charge0
Complexity2520
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)N
InChI
InChI=1S/C53H87N13O21/c1-9-26(8)41(64-43(76)28(18-35(54)70)57-45(78)30(20-67)59-46(79)31(21-68)60-49(82)38(55)23(2)3)50(83)61-32(22-69)44(77)56-27(14-15-36(71)72)42(75)58-29(19-37(73)74)51(84)65-16-10-12-33(65)47(80)62-39(24(4)5)52(85)66-17-11-13-34(66)48(81)63-40(25(6)7)53(86)87/h23-34,38-41,67-69H,9-22,55H2,1-8H3,(H2,54,70)(H,56,77)(H,57,78)(H,58,75)(H,59,79)(H,60,82)(H,61,83)(H,62,80)(H,63,81)(H,64,76)(H,71,72)(H,73,74)(H,86,87)/t26-,27-,28-,29-,30-,31-,32-,33-,34-,38-,39-,40-,41-/m0/s1
InChIKey
HKKDGJFKJBWDQK-FYKWFVNCSA-N
Chemical Structure
2D Structure
2D structure of Preprovasoactive intestinal peptide (111-122)
CAS: 123025-94-5
CID: 129871
Formula: C53H87N13O21
MW: 1242.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight1242.3
XLogP3-7
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count22
Rotatable Bond Count36
Exact Mass1241.61394683
Monoisotopic Mass1241.61394683
Topological Polar Surface Area544 Ų
Heavy Atom Count87
Formal Charge0
Complexity2520
Isotope Atom Count0
Defined Atom Stereocenter Count13
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes