List of USP Standards of Hcg-Beta 123-145 on PharmaCompass.com.

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Chemistry

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Also known as: Hcg-beta (123-145), Beta-subunit hcg (123-145), 66053-67-6, Beta subunit hcg (123-145), L-glutamine, l-alanyl-l-prolyl-l-prolyl-l-prolyl-l-seryl-l-leucyl-l-prolyl-l-seryl-l-prolyl-l-seryl-l-arginyl-l-leucyl-l-prolylglycyl-l-prolyl-l-seryl-l-alpha-aspartyl-l-threonyl-l-prolyl-l-isoleucyl-l-leucyl-l-prolyl-
Molecular Formula
C105H169N27O32
Molecular Weight
2321.6  g/mol
InChI Key
UQHLFCUMFKQWEV-QBBOMDFKSA-N

Human Chorionic Gonadotropin
1 2D Structure

Human Chorionic Gonadotropin

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
(2S)-5-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-1-[(2S)-1-[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-hydroxypropanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoic acid
2.1.2 InChI
InChI=1S/C105H169N27O32/c1-11-56(8)81(95(154)117-64(46-55(6)7)99(158)126-37-15-25-71(126)90(149)113-60(104(163)164)32-33-78(107)138)122-94(153)75-29-19-41-130(75)103(162)82(58(10)137)123-84(143)61(47-80(140)141)114-86(145)66(50-134)118-89(148)70-24-13-35-124(70)79(139)48-111-88(147)69-23-14-36-125(69)97(156)62(44-53(2)3)115-83(142)59(22-12-34-110-105(108)109)112-85(144)65(49-133)119-91(150)72-26-17-39-128(72)100(159)68(52-136)121-93(152)73-27-16-38-127(73)98(157)63(45-54(4)5)116-87(146)67(51-135)120-92(151)74-28-18-40-129(74)101(160)77-31-21-43-132(77)102(161)76-30-20-42-131(76)96(155)57(9)106/h53-77,81-82,133-137H,11-52,106H2,1-10H3,(H2,107,138)(H,111,147)(H,112,144)(H,113,149)(H,114,145)(H,115,142)(H,116,146)(H,117,154)(H,118,148)(H,119,150)(H,120,151)(H,121,152)(H,122,153)(H,123,143)(H,140,141)(H,163,164)(H4,108,109,110)/t56-,57-,58+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,81-,82-/m0/s1
2.1.3 InChI Key
UQHLFCUMFKQWEV-QBBOMDFKSA-N
2.1.4 Canonical SMILES
CCC(C)C(C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)NC(CCC(=O)N)C(=O)O)NC(=O)C2CCCN2C(=O)C(C(C)O)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C3CCCN3C(=O)CNC(=O)C4CCCN4C(=O)C(CC(C)C)NC(=O)C(CCCNC(=N)N)NC(=O)C(CO)NC(=O)C5CCCN5C(=O)C(CO)NC(=O)C6CCCN6C(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C7CCCN7C(=O)C8CCCN8C(=O)C9CCCN9C(=O)C(C)N
2.1.5 Isomeric SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H]3CCCN3C(=O)CNC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@@H]5CCCN5C(=O)[C@H](CO)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@@H]7CCCN7C(=O)[C@@H]8CCCN8C(=O)[C@@H]9CCCN9C(=O)[C@H](C)N
2.2 Synonyms
2.2.1 MeSH Synonyms

1. Beta Subunit Hcg (123-145)

2. Hcg-beta (123-145)

2.2.2 Depositor-Supplied Synonyms

1. Hcg-beta (123-145)

2. Beta-subunit Hcg (123-145)

3. 66053-67-6

4. Beta Subunit Hcg (123-145)

5. L-glutamine, L-alanyl-l-prolyl-l-prolyl-l-prolyl-l-seryl-l-leucyl-l-prolyl-l-seryl-l-prolyl-l-seryl-l-arginyl-l-leucyl-l-prolylglycyl-l-prolyl-l-seryl-l-alpha-aspartyl-l-threonyl-l-prolyl-l-isoleucyl-l-leucyl-l-prolyl-

2.3 Create Date
2007-07-03
3 Chemical and Physical Properties
Molecular Weight 2321.6 g/mol
Molecular Formula C105H169N27O32
XLogP3-8.6
Hydrogen Bond Donor Count25
Hydrogen Bond Acceptor Count34
Rotatable Bond Count59
Exact Mass2321.2460512 g/mol
Monoisotopic Mass2320.2426963 g/mol
Topological Polar Surface Area868 Ų
Heavy Atom Count164
Formal Charge0
Complexity5430
Isotope Atom Count0
Defined Atom Stereocenter Count24
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1

API Reference Price

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09-Feb-2021
16-Feb-2021
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