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Aod 9604

CAT: 1299-RG-A261582-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-A261582-01Size:10 mg
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CAS Number
221231-10-3
Synonyms
L-Phenylalanine, ((4R,7S,13S,16S,19S,22S,25R) -25- ((S) -5-amino-2- ((S) -2- ((2S,3S) -2- ((S) -2- ((S) -2- ((S) -2-amino-3- (4-hydroxyphenyl) propanamido) -4-methylpentanamido) -5-guanidinopentanamido) -3-methylpentanamido) -3-methylbutanamido) -5-oxopentanamido) -13- (2-carbo
Molecular Formula
C78H123N23O23S2
Molecular Weight
1815.1
Product Name Synonym
L-Phenylalanine, ((4R,7S,13S,16S,19S,22S,25R) -25- ((S) -5-amino-2- ((S) -2- ((2S,3S) -2- ((S) -2- ((S) -2- ((S) -2-amino-3- (4-hydroxyphenyl) propanamido) -4-methylpentanamido) -5-guanidinopentanamido) -3-methylpentanamido) -3-methylbutanamido) -5-oxopentanamido) -13- (2-carbo

Chemical Information

Aod-9604

AOD9604 is a synthetic analogue of the lipolytic domain of human growth hormone, being investigated for the treatment of obesity.

CAS Number221231-10-3
PubChem CID71300630
IUPAC Name(2S)-2-[[2-[[(4R,7S,13S,16S,19S,22S,25R)-25-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-22-(3-carbamimidamidopropyl)-13-(2-carboxyethyl)-7,19-bis(hydroxymethyl)-6,9,12,15,18,21,24-heptaoxo-16-propan-2-yl-1,2-dithia-5,8,11,14,17,20,23-heptazacyclohexacosane-4-carbonyl]amino]acetyl]amino]-3-phenylpropanoic acid
Molecular FormulaC78H123N23O23S2
Molecular Weight1815.1
XLogP-4.8
Topological Polar Surface Area815
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count28
Rotatable Bond Count45
Heavy Atom Count126
Formal Charge0
Complexity3710
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CCCNC(=N)N)CO)C(C)C)CCC(=O)O)CO)C(=O)NCC(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC3=CC=C(C=C3)O)N
InChI
InChI=1S/C78H123N23O23S2/c1-9-41(8)62(101-68(115)47(18-14-28-86-78(83)84)91-69(116)50(29-38(2)3)95-63(110)45(79)30-43-19-21-44(104)22-20-43)75(122)100-61(40(6)7)74(121)94-49(23-25-56(80)105)67(114)98-55-37-126-125-36-54(65(112)88-32-57(106)89-51(76(123)124)31-42-15-11-10-12-16-42)97-70(117)52(34-102)90-58(107)33-87-64(111)48(24-26-59(108)109)93-73(120)60(39(4)5)99-71(118)53(35-103)96-66(113)46(92-72(55)119)17-13-27-85-77(81)82/h10-12,15-16,19-22,38-41,45-55,60-62,102-104H,9,13-14,17-18,23-37,79H2,1-8H3,(H2,80,105)(H,87,111)(H,88,112)(H,89,106)(H,90,107)(H,91,116)(H,92,119)(H,93,120)(H,94,121)(H,95,110)(H,96,113)(H,97,117)(H,98,114)(H,99,118)(H,100,122)(H,101,115)(H,108,109)(H,123,124)(H4,81,82,85)(H4,83,84,86)/t41-,45-,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,60-,61-,62-/m0/s1
InChIKey
GVIYUKXRXPXMQM-BPXGDYAESA-N
Chemical Structure
2D Structure
2D structure of Aod-9604
CAS: 221231-10-3
CID: 71300630
Formula: C78H123N23O23S2
MW: 1815.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1815.1
XLogP3-4.8
Hydrogen Bond Donor Count28
Hydrogen Bond Acceptor Count28
Rotatable Bond Count45
Exact Mass1813.86035961
Monoisotopic Mass1813.86035961
Topological Polar Surface Area815 Ų
Heavy Atom Count126
Formal Charge0
Complexity3710
Isotope Atom Count0
Defined Atom Stereocenter Count15
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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