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Metamorphosin A

CAT: 1601-CCP2619-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1601-CCP2619-02Size:5 mg
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Description
Peptide to Metamorphosin A
CAS Number
157622-03-2
Structure Composition
Pyr-Gln-Pro-Gly-Leu-Trp-NH2
Purity
> 95%
Form
Lyophilized powder
Molecular Formula
C34H47N9O8
Molecular Weight
709.8
Storage Conditions
Shipped at 4°C. Store at -20°C for one year.
Light Source
Synthetic

Chemical Information

Metamorphosin A

induces metamorphosis of posterior portions of Hydractinia echinata; amino acid sequence in first source

CAS Number157622-03-2
PubChem CID101699350
IUPAC Name(2S)-N-[(2S)-5-amino-1-[(2S)-2-[[2-[[(2S)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]carbamoyl]pyrrolidin-1-yl]-1,5-dioxopentan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC34H47N9O8
Molecular Weight709.8
XLogP-1.2
Topological Polar Surface Area268
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Heavy Atom Count51
Formal Charge0
Complexity1340
SMILES
CC(C)C[C@@H](C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]4CCC(=O)N4
InChI
InChI=1S/C34H47N9O8/c1-18(2)14-25(32(49)42-24(30(36)47)15-19-16-37-21-7-4-3-6-20(19)21)40-29(46)17-38-33(50)26-8-5-13-43(26)34(51)23(9-11-27(35)44)41-31(48)22-10-12-28(45)39-22/h3-4,6-7,16,18,22-26,37H,5,8-15,17H2,1-2H3,(H2,35,44)(H2,36,47)(H,38,50)(H,39,45)(H,40,46)(H,41,48)(H,42,49)/t22-,23-,24-,25-,26-/m0/s1
InChIKey
GKEQKKNLRDPCST-LROMGURASA-N
Chemical Structure
2D Structure
2D structure of Metamorphosin A
CAS: 157622-03-2
CID: 101699350
Formula: C34H47N9O8
MW: 709.8
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight709.8
XLogP3-1.2
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count17
Exact Mass709.35475949
Monoisotopic Mass709.35475949
Topological Polar Surface Area268 Ų
Heavy Atom Count51
Formal Charge0
Complexity1340
Isotope Atom Count0
Defined Atom Stereocenter Count5
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes