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Goserelin EP Impurity L

CAT: 1299-RM-G261012-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-G261012-01Size:10 mg
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CAS Number
1926163-38-3
Synonyms
(S) -N- ((6S,9R,12R,15S,18S,21S,24S) -21- ((1H-indol-3-yl) methyl) -1-amino-12- (tert-butoxymethyl) -6- ((S) -2- (2-carbamoylhydrazine-1-carbonyl) pyrrolidine-1-carbonyl) -15- (4-hydroxybenzyl) -18- (hydroxymethyl) -25- (1H-imidazol-4-yl) -1-imino-9-isobutyl-8,11,14,17,20,23-hexaoxo-2,7,10,13,16,19,22-heptaazapentacosan-24-yl) -5-oxopyrrolidine-2- carboxamide
Molecular Formula
C59H84N18O14
Molecular Weight
1269.43
Target Alternative Name
Goserelin
Product Name Synonym
(2S) -N- ((6S,9R,12R,15S,18S,21S,24S) -21- ((1H-indol-3-yl) methyl) -1-amino-12- (tert-butoxymethyl) -6- ((S) -2- (2-carbamoylhydrazine-1-carbonyl) pyrrolidine-1-carbonyl) -15- (4-hydroxybenzyl) -18- (hydroxymethyl) -25- (4H-imidazol-4-yl) -1-imino-9-isobutyl-8,11,14,17,20,

Chemical Information

(D-Ser(tBu)6,D-Leu7,Azagly10)-LHRH
CAS Number1926163-38-3
PubChem CID71773422
IUPAC Name(2S)-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2R)-1-[[(2S)-1-[(2S)-2-[(carbamoylamino)carbamoyl]pyrrolidin-1-yl]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]-5-oxopyrrolidine-2-carboxamide
Molecular FormulaC59H84N18O14
Molecular Weight1269.4
XLogP-1.5
Topological Polar Surface Area496
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count16
Rotatable Bond Count32
Heavy Atom Count91
Formal Charge0
Complexity2560
SMILES
CC(C)C[C@H](C(=O)N[C@@H](CCCN=C(N)N)C(=O)N1CCC[C@H]1C(=O)NNC(=O)N)NC(=O)[C@@H](COC(C)(C)C)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@@H]6CCC(=O)N6
InChI
InChI=1S/C59H84N18O14/c1-31(2)22-40(49(82)68-39(12-8-20-64-57(60)61)56(89)77-21-9-13-46(77)55(88)75-76-58(62)90)69-54(87)45(29-91-59(3,4)5)74-50(83)41(23-32-14-16-35(79)17-15-32)70-53(86)44(28-78)73-51(84)42(24-33-26-65-37-11-7-6-10-36(33)37)71-52(85)43(25-34-27-63-30-66-34)72-48(81)38-18-19-47(80)67-38/h6-7,10-11,14-17,26-27,30-31,38-46,65,78-79H,8-9,12-13,18-25,28-29H2,1-5H3,(H,63,66)(H,67,80)(H,68,82)(H,69,87)(H,70,86)(H,71,85)(H,72,81)(H,73,84)(H,74,83)(H,75,88)(H4,60,61,64)(H3,62,76,90)/t38-,39-,40+,41-,42-,43-,44-,45+,46-/m0/s1
InChIKey
BLCLNMBMMGCOAS-HZLKSCACSA-N
Chemical Structure
2D Structure
2D structure of (D-Ser(tBu)6,D-Leu7,Azagly10)-LHRH
CAS: 1926163-38-3
CID: 71773422
Formula: C59H84N18O14
MW: 1269.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight1269.4
XLogP3-1.5
Hydrogen Bond Donor Count17
Hydrogen Bond Acceptor Count16
Rotatable Bond Count32
Exact Mass1268.64143943
Monoisotopic Mass1268.64143943
Topological Polar Surface Area496 Ų
Heavy Atom Count91
Formal Charge0
Complexity2560
Isotope Atom Count0
Defined Atom Stereocenter Count9
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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