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MCH-Gene-Overprinted-Polypeptide-14 (rat)

CAT: 0926-FM109348-01Size: 2000 µgDry Ice: NoHazardous: No
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CAT#:0926-FM109348-01Size:2000 µg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
182917-44-8
Synonyms
H-Thr-Ile-His-Cys-Lys-Trp-Arg-Glu-Lys-Pro-Leu-Met-Leu-Met-OH; H-TIHCKWREKPLMLM-OH
MDL Number
MFCD02261966
Smiles
CC[C@H] (C) [C@@H] (C (=O) N[C@@H] (CC1=CN=CN1) C (=O) N[C@@H] (CS) C (=O) N[C@@H] (CCCCN) C (=O) N[C@@H] (CC2=CNC3=CC=CC=C32) C (=O) N[C@@H] (CCN=C (N) N) C (=O) N[C@@H] (CCC (=O) O) C (=O) N[C@@H] (CCCCN) C (=O) N4CCC[C@H]4C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CCSC) C (=O) N[C@@H] (CC (C) C) C (=O) N[C@@H] (CCSC) C (=O) O) NC (=O) [C@H] ([C@@H] (C) O) N
Molecular Formula
C80H132N22O18S3
Molecular Weight
1,786.24 g/mol
Controlled
No

Chemical Information

H-Thr-ile-his-cys-lys-trp-arg-glu-lys-pro-leu-met-leu-met-OH
CAS Number182917-44-8
PubChem CID102601735
IUPAC Name(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3R)-2-amino-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-sulfanylpropanoyl]amino]hexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-4-(diaminomethylideneamino)butanoyl]amino]-5-[[(2S)-6-amino-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(1S)-1-carboxy-3-methylsulfanylpropyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid
Molecular FormulaC79H130N22O18S3
Molecular Weight1772.2
XLogP-4.8
Topological Polar Surface Area703
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count26
Rotatable Bond Count58
Heavy Atom Count122
Formal Charge0
Complexity3450
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CCN=C(N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)O)NC(=O)[C@H]([C@@H](C)O)N
InChI
InChI=1S/C79H130N22O18S3/c1-10-44(6)64(100-75(115)63(82)45(7)102)76(116)98-59(37-47-39-85-41-88-47)72(112)99-60(40-120)73(113)89-50(20-13-15-28-80)65(105)96-58(36-46-38-87-49-19-12-11-18-48(46)49)71(111)91-52(25-30-86-79(83)84)67(107)90-51(23-24-62(103)104)66(106)93-54(21-14-16-29-81)77(117)101-31-17-22-61(101)74(114)97-57(35-43(4)5)69(109)92-53(26-32-121-8)68(108)95-56(34-42(2)3)70(110)94-55(78(118)119)27-33-122-9/h11-12,18-19,38-39,41-45,50-61,63-64,87,102,120H,10,13-17,20-37,40,80-82H2,1-9H3,(H,85,88)(H,89,113)(H,90,107)(H,91,111)(H,92,109)(H,93,106)(H,94,110)(H,95,108)(H,96,105)(H,97,114)(H,98,116)(H,99,112)(H,100,115)(H,103,104)(H,118,119)(H4,83,84,86)/t44-,45+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,63-,64-/m0/s1
InChIKey
LSUSAOMTZCWUKF-WCIAGDSVSA-N
Chemical Structure
2D Structure
2D structure of H-Thr-ile-his-cys-lys-trp-arg-glu-lys-pro-leu-met-leu-met-OH
CAS: 182917-44-8
CID: 102601735
Formula: C79H130N22O18S3
MW: 1772.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1772.2
XLogP3-4.8
Hydrogen Bond Donor Count23
Hydrogen Bond Acceptor Count26
Rotatable Bond Count58
Exact Mass1770.90955891
Monoisotopic Mass1770.90955891
Topological Polar Surface Area703 Ų
Heavy Atom Count122
Formal Charge0
Complexity3450
Isotope Atom Count0
Defined Atom Stereocenter Count16
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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