68630-75-1 (Free base) structure

68630-75-1 (Free base)

N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-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

Also Known As: BUSERELIN|Etilamide|Buserelin acetate|Buserelin (Acetate)|Buserelin [INN:BAN]|Busereline [INN-French]|Buserelinum [INN-Latin]|Buserelina [INN-Spanish]|CCRIS 2657|68630-75-1 (free base)|HOE 766|HOE-766|AC1L2874|EINECS 261-061-9|D-Ser-(TBu)(sup 6)-LHRH-ethylamide|ICI 123215|(D-Ser(tbu)(sup 6)-EA(sup 10))-LHRH|L013384|S 746766|D-Ser(tbu(sup 6))-LH-RH-(1-9)-nonapeptide ethylamide|(D-Ser(Bu(sup t)(sup 6)))-LH-RH(1-9)nonapeptide-ethylamide|(D-Ser(tbu)(sup 6)-EA(sup 10))-luteinizing hormone-releasing hormone|1-(3-((1H-imidazol-4-yl)methyl)-6-((1H-indol-3-yl)methyl)-15-(tert-butoxymethyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-(5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-ethylpyrrolidine-2-carboxamide|Luteinizing hormone-releasing hormone, (D-ser(tbu)(sup 6)-EA(sup 10))-|Luteinizing hormone-releasing factor (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-|Luteinizing hormone-releasing hormone (pig), 6-(O-(1,1-dimethylethyl)-D-serine)-9-(N-ethyl-L-prolinamide)-10-deglycinamide-|N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-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|N-[2-[[2-[[2-[[2-[[1-(tert-butoxymethyl)-2-[[1-[[1-[2-(ethylcarbamoyl)pyrrolidine-1-carbonyl]-4-guanidino-butyl]carbamoyl]-3-methyl-butyl]amino]-2-oxo-ethyl]amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]amino]-1-(1H-i

CAS: 57982-77-1
Molecular Formula C60H86N16O13
Molecular Weight 1238.656 g/mol
LogP -1.67
Topological Polar Surface Area 440.77 Ų
Hydrogen Bond Donors 15
Hydrogen Bond Acceptors 15
Rotatable Bonds 32
Exact Mass 1238.656
Heavy Atoms 89
Complexity 3123.1

Chemical Identifiers

CAS Number 57982-77-1
SMILES CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(COC(C)(C)C)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6

Product Overview

68630-75-1 (Free base) (CAS 57982-77-1), with molecular formula C60H86N16O13 and molecular weight 1238.656 g/mol. IUPAC: N-[1-[[1-[[1-[[1-[[1-[[1-[[5-(diaminomethylideneamino)-1-[2-(ethylcarbamoyl)pyrrolidin-1-yl]-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.

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