Gonadoliberin

Synopsis, Chemistry

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Also known as: Luteinizing hormone releasing hormone (lh-rh), salmon, Luteinizing hormone releasing hormone salmon, Pyr-his-trp-ser-tyr-gly-trp-leu-pro-gly-nh2, Lh-rh (lhrh), Gtpl1162, Ls-15520

Molecular Formula

C₆₀H₇₃N₁₅O₁₃

Molecular Weight

1212.3 g/mol

InChI Key

NMJREATYWWNIKX-UHFFFAOYSA-N

1 2D Structure

Gonadoliberin

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[1-[[1-[[1-[[1-[[2-[[1-[[1-[2-[(2-amino-2-oxoethyl)carbamoyl]pyrrolidin-1-yl]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]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

2.1.2 InChI

InChI=1S/C60H73N15O13/c1-32(2)20-47(60(88)75-19-7-12-49(75)59(87)65-28-50(61)78)73-55(83)44(22-34-25-63-40-10-5-3-8-38(34)40)69-52(80)29-66-53(81)43(21-33-13-15-37(77)16-14-33)70-58(86)48(30-76)74-56(84)45(23-35-26-64-41-11-6-4-9-39(35)41)71-57(85)46(24-36-27-62-31-67-36)72-54(82)42-17-18-51(79)68-42/h3-6,8-11,13-16,25-27,31-32,42-49,63-64,76-77H,7,12,17-24,28-30H2,1-2H3,(H2,61,78)(H,62,67)(H,65,87)(H,66,81)(H,68,79)(H,69,80)(H,70,86)(H,71,85)(H,72,82)(H,73,83)(H,74,84)

2.1.3 InChI Key

NMJREATYWWNIKX-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC(C)CC(C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Luteinizing Hormone Releasing Hormone (lh-rh), Salmon

2. Luteinizing Hormone Releasing Hormone Salmon

3. Pyr-his-trp-ser-tyr-gly-trp-leu-pro-gly-nh2

4. Lh-rh (lhrh)

5. Gtpl1162

6. Ls-15520

7. Q27077828

8. Luteinizing Hormone Releasing Hormone Salmon, >=97% (hplc)

2.3 Create Date

2007-07-04

3 Chemical and Physical Properties

Molecular Formula	C₆₀H₇₃N₁₅O₁₃
Molecular Weight	1212.3 g/mol
XLogP3	0.5
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	14
Rotatable Bond Count	29
Exact Mass	1211.55122744 g/mol
Monoisotopic Mass	1211.55122744 g/mol
Topological Polar Surface Area	426 Å²
Heavy Atom Count	88
Formal Charge	0
Complexity	2480
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	8
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1