structure of GNRH Precursor (14-26)

GNRH Precursor (14-26)

CAS No.: 100111-07-7
M. Wt: 1492.58000
M. Fa: C65H101N15O25
InChI Key: SLLIDJFLMJLJIA-CXWSTQGDSA-N

Names and Identifiers of GNRH Precursor (14-26)

CAS Number

100111-07-7

IUPAC Name

(4S)-5-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-4-carboxy-1-[[(2S,3S)-1-[[(1S)-1-carboxy-2-methylpropyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-carboxypropanoyl]amino]propanoyl]amino]-5-oxopentanoic acid

InChI

InChI=1S/C65H101N15O25/c1-10-31(7)51(80-61(100)39(23-29(3)4)73-59(98)41(26-45(68)83)75-56(95)37(18-21-46(84)85)70-53(92)33(9)69-54(93)35(66)25-48(88)89)63(102)76-42(27-49(90)91)60(99)77-43(28-81)62(101)74-40(24-34-15-13-12-14-16-34)58(97)72-36(17-20-44(67)82)55(94)71-38(19-22-47(86)87)57(96)79-52(32(8)11-2)64(103)78-50(30(5)6)65(104)105/h12-16,29-33,35-43,50-52,81H,10-11,17-28,66H2,1-9H3,(H2,67,82)(H2,68,83)(H,69,93)(H,70,92)(H,71,94)(H,72,97)(H,73,98)(H,74,101)(H,75,95)(H,76,102)(H,77,99)(H,78,103)(H,79,96)(H,80,100)(H,84,85)(H,86,87)(H,88,89)(H,90,91)(H,104,105)/t31-,32-,33-,35-,36-,37-,38-,39-,40-,41-,42-,43-,50-,51-,52-/m0/s1

InChIKey

SLLIDJFLMJLJIA-CXWSTQGDSA-N

Canonical SMILES

CCC(C)C(C(=O)NC(C(C)C)C(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CC1=CC=CC=C1)NC(=O)C(CO)NC(=O)C(CC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CC(C)C)NC(=O)C(CC(=O)N)NC(=O)C(CCC(=O)O)NC(=O)C(C)NC(=O)C(CC(=O)O)N

Isomeric SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](CC(=O)O)N

Physical and chemical properties of GNRH Precursor (14-26)

Acidity coefficient

3.36±0.10(Predicted)

Boiling Point

1909.1±65.0 °C(Predicted)

Density

1.336±0.06 g/cm3(Predicted)

Exact Mass

1491.71000

LogP

0.87670

Molecular Formula

C65H101N15O25

Molecular Weight

1492.58000

PSA

668.13000

Storage condition

−20°C

Interaction Studies of GNRH Precursor (14-26)

Interaction studies would typically involve assessing how this compound interacts with various biological targets:

  • Binding assays: To determine affinity for enzymes or receptors.
  • Cell-based assays: To evaluate biological activity in living systems.
  • Molecular docking studies: To predict how the compound binds to target proteins at the molecular level.

Biological Activity of GNRH Precursor (14-26)

Given its structure, this compound may exhibit significant biological activity. Potential activities include:

  • Enzyme inhibition: Similar compounds often interact with enzymes, potentially acting as inhibitors or substrates.
  • Antimicrobial properties: Many peptides exhibit antimicrobial activity, suggesting this compound might have similar effects.

Research into its specific biological roles would be necessary to confirm these activities.