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Ranamargarin

CAT: 0926-FR110418-02Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-FR110418-02Size:10 mg
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CAS Number
132151-82-7
Synonyms
H-Asp-Asp-Ala-Ser-Asp-Arg-Ala-Lys-Lys-Phe-Tyr-Gly-Leu-Met-NH2; H-DDASDRAKKFYGLM-NH2
MDL Number
MFCD00076674
Smiles
C[C@@H] (C (=O) N[C@@H] (CCCCN) C (=O) N[C@@H] (CCCCN) C (=O) N[C@@H] (CC1=CC=CC=C1) C (=O) N[C@@H] (CC2=CC=C (C=C2) O) C (=O) NCC (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CCSC) C (=O) N) NC (=O) [C@H] (CCCN=C (N) N) NC (=O) [C@H] (CC (=O) O) NC (=O) [C@H] (CO) NC (=O) [C@H] (C) NC (=O) [C@H] (CC (=O) O) NC (=O) [C@H] (CC (=O) O) N
Molecular Formula
C70H110N20O22S
Molecular Weight
1,615.81 g/mol
Controlled
No

Chemical Information

Ranamargarin

amino acid sequence given in first source; isolated from the skin of the Chinese frog Rana margaratae

CAS Number132151-82-7
PubChem CID25082840
IUPAC Name3-amino-4-[[1-[[1-[[1-[[1-[[1-[[1-[[6-amino-1-[[6-amino-1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular FormulaC70H110N20O22S
Molecular Weight1615.8
XLogP-12.4
Topological Polar Surface Area742
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count27
Rotatable Bond Count55
Heavy Atom Count113
Formal Charge0
Complexity3210
SMILES
CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C(C)NC(=O)C(CC(=O)O)NC(=O)C(CC(=O)O)N
InChI
InChI=1S/C70H110N20O22S/c1-36(2)28-47(66(109)82-43(57(74)100)23-27-113-5)81-53(93)34-78-61(104)48(30-40-19-21-41(92)22-20-40)87-67(110)49(29-39-14-7-6-8-15-39)88-64(107)45(17-10-12-25-72)84-63(106)44(16-9-11-24-71)83-58(101)37(3)79-62(105)46(18-13-26-77-70(75)76)85-68(111)51(33-56(98)99)89-69(112)52(35-91)90-59(102)38(4)80-65(108)50(32-55(96)97)86-60(103)42(73)31-54(94)95/h6-8,14-15,19-22,36-38,42-52,91-92H,9-13,16-18,23-35,71-73H2,1-5H3,(H2,74,100)(H,78,104)(H,79,105)(H,80,108)(H,81,93)(H,82,109)(H,83,101)(H,84,106)(H,85,111)(H,86,103)(H,87,110)(H,88,107)(H,89,112)(H,90,102)(H,94,95)(H,96,97)(H,98,99)(H4,75,76,77)
InChIKey
DCKAAUBVYDKFGM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ranamargarin
CAS: 132151-82-7
CID: 25082840
Formula: C70H110N20O22S
MW: 1615.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1615.8
XLogP3-12.4
Hydrogen Bond Donor Count24
Hydrogen Bond Acceptor Count27
Rotatable Bond Count55
Exact Mass1614.78242639
Monoisotopic Mass1614.78242639
Topological Polar Surface Area742 Ų
Heavy Atom Count113
Formal Charge0
Complexity3210
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count13
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
H-9335.0001Ranamargarin
abx266651-01Ranamargarin Peptide
MBS1122822-01Recombinant Rana margaratae Ranamargarin
SP-102044-1Ranamargarin (AA: Asp-Asp-Ala-Ser-Asp-Arg-Ala-Lys-Lys-Phe-Tyr-Gly-Leu-Met-NH2) (MW: 1615.83)

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